Geometry & MOs

Info

ID:

215258

PubChem CID:

85084442

Reduced:

N7O14C34H51 (1)

Stoich.:

A7B14C34D51 (1)

Weight, g/mol:

781.394516

ΔHf, kcal/mol:

-635.27

Dipole, Da:

7.02

IP(EA), eV:

 -9.72(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-N-[1-[[1-[[1-[1-[(1-hydrazinyl-4-methylsulfanyl-1-oxobutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]-2-oxopyrrolidin-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pentanediamide

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(C(C)O)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(C)C(=O)NCC(=O)NC(CC1=CC=C(C=C1)O)C(=O)O)N

DOS

IR

Vibrations