Geometry & MOs

Info

ID:

193611

PubChem CID:

78412304

Reduced:

N5O7C34H45 (1)

Stoich.:

A5B7C34D45 (1)

Weight, g/mol:

615.305684

ΔHf, kcal/mol:

-249.97

Dipole, Da:

2.02

IP(EA), eV:

 -9.43(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl N-[1-[[1-[(7-amino-1,7-dioxo-1-pyrrol-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)N2CCCCO2)NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations