Geometry & MOs

Info

ID:	228913
PubChem CID:	87566202
Reduced:	O4N7H9C12 (1)
Stoich.:	A4B7C9D12 (1)
Weight, g/mol:	901.473812
ΔH_f, kcal/mol:	145.39
Dipole, Da:	5.82
IP(EA), eV:	-10.03(-2.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[(2S)-3,3-dimethyl-1-[[(2S)-1-[4-[[N-[[4-[[(2S)-1-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]anilino]methyl]phenyl]pyrrolidine-2-carbonyl]amino]-1-oxobutan-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=C2C(=C1)N=NN2N(C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])N

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=C2C(=C1)N=NN2N(C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])N

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):