Geometry & MOs

Info

ID:

193608

PubChem CID:

78412301

Reduced:

N5O7C32H43 (1)

Stoich.:

A5B7C32D43 (1)

Weight, g/mol:

595.300599

ΔHf, kcal/mol:

-243.85

Dipole, Da:

2.71

IP(EA), eV:

 -9.17(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl N-[1-[[1-[[7-amino-1-[hydroxy(methyl)amino]-1,7-dioxohept-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)OC)NC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations