Geometry & MOs

Info

ID:

163993

PubChem CID:

74381301

Reduced:

O5N10C42H50 (1)

Stoich.:

A5B10C42D50 (1)

Weight, g/mol:

774.396565

ΔHf, kcal/mol:

-128.61

Dipole, Da:

2.7

IP(EA), eV:

 -8.26(0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-amino-2-[[2-[[2-[[2-(4-aminobutanoylamino)-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]pentanamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NC(CC5=CNC6=CC=CC=C65)C(=O)NC(CCCCN)C(=O)N)NC(=O)CCN

DOS

IR

Vibrations