Geometry & MOs

Info

ID:

193607

PubChem CID:

78412300

Reduced:

N5O6C38H45 (1)

Stoich.:

A5B6C38D45 (1)

Weight, g/mol:

609.316249

ΔHf, kcal/mol:

-207.07

Dipole, Da:

10.09

IP(EA), eV:

 -8.67(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl N-[1-[[1-[[7-amino-1-[methoxy(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)N2CCC3=CC=CC=C32)NC(=O)OCC4=CC=CC=C4

DOS

IR

Vibrations