Geometry & MOs

Info

ID:

193612

PubChem CID:

78412305

Reduced:

N5O6C34H41 (1)

Stoich.:

A5B6C34D41 (1)

Weight, g/mol:

665.321334

ΔHf, kcal/mol:

-209.35

Dipole, Da:

6.92

IP(EA), eV:

 -9.38(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl N-[1-[[1-[(7-amino-1-indol-1-yl-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)N2C=CC=C2)NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations