Geometry & MOs

Info

ID:

163992

PubChem CID:

74381298

Reduced:

O5N7C39H43 (1)

Stoich.:

A5B7C39D43 (1)

Weight, g/mol:

774.396565

ΔHf, kcal/mol:

-146.25

Dipole, Da:

10.1

IP(EA), eV:

 -8.65(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-amino-2-[[2-[[2-[[2-(3-aminopropanoylamino)-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanamide

Drug info:

PubChemData

Smile

CC(C(=O)N)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(C)NC(=O)C(CC4=CC5=CC=CC=C5C=C4)N

DOS

IR

Vibrations