Geometry & MOs

Info

ID:

215579

PubChem CID:

85084932

Reduced:

O9N15C52H73 (1)

Stoich.:

A9B15C52D73 (1)

Weight, g/mol:

1053.550834

ΔHf, kcal/mol:

-347.68

Dipole, Da:

2.75

IP(EA), eV:

 -9.15(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[[1-[2-[[1-[[1-[(4-amino-3-oxo-1-phenylbutan-2-yl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-methylamino]-4-methyl-1-oxopentan-2-yl]carbamoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]-2-[2-(1H-indol-3-yl)ethylcarbamoylamino]butanediamide

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N)C(=O)N2CCCC2C(=O)NC(CCCN=C(N)N)C(=O)NC(CC(=O)N)C(=O)N)NC(=O)C(CC3=CC=CC=C3)NC(=O)C4=CC=CC=C4

DOS

IR

Vibrations