Geometry & MOs

Info

ID:

193602

PubChem CID:

78412295

Reduced:

N5O6C32H43 (1)

Stoich.:

A5B6C32D43 (1)

Weight, g/mol:

619.336984

ΔHf, kcal/mol:

-239.81

Dipole, Da:

9.55

IP(EA), eV:

 -8.98(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl N-[1-[[1-[(7-amino-1,7-dioxo-1-pyrrolidin-1-ylhept-2-en-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCC(=O)N)C=CC(=O)N(C)C)NC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations