Geometry & MOs

Info

ID:	297081
PubChem CID:	117608041
Reduced:	N5O6C31H43 (1)
Stoich.:	A5B6C31D43 (1)
Weight, g/mol:	564.294785
ΔH_f, kcal/mol:	-229.44
Dipole, Da:	3.73
IP(EA), eV:	-9.25(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[[3-(4-methoxyphenyl)-1-[[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-1-methylpyrrolidine-2-carboxamide

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

C[C@H](C(=O)N[C@@H](CC1=CC2=C(C=C1)N=CN2)C(=O)N[C@@H](CC3CCCC3)C(=O)[C@]4(CO4)C)NC(=O)C5CCC(CC5)O

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

C[C@H](C(=O)N[C@@H](CC1=CC2=C(C=C1)N=CN2)C(=O)N[C@@H](CC3CCCC3)C(=O)[C@]4(CO4)C)NC(=O)C5CCC(CC5)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):