Geometry & MOs

Info

ID:	229030
PubChem CID:	87566807
Reduced:	PF2N2O6C27H29 (1)
Stoich.:	AB2C2D6E27F29 (1)
Weight, g/mol:	899.458162
ΔH_f, kcal/mol:	-356.54
Dipole, Da:	6.06
IP(EA), eV:	-9.43(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[(2S)-3,3-dimethyl-1-oxo-1-[[(2S)-1-[4-[[N-[[4-[[(2S)-1-[(2R)-2-[[(2S)-oxolane-2-carbonyl]amino]-2-phenylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]anilino]methyl]phenyl]pyrrolidine-2-carbonyl]amino]butan-2-yl]carbamate

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C1=CC=C(C=C1)CCCNC(=O)[C@H](CC2=CC=C(C=C2)OP(=O)(C(F)F)O)NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C1=CC=C(C=C1)CCCNC(=O)[C@H](CC2=CC=C(C=C2)OP(=O)(C(F)F)O)NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):