Geometry & MOs

Info

ID:

168587

PubChem CID:

74991008

Reduced:

O3N4C34H42 (1)

Stoich.:

A3B4C34D42 (1)

Weight, g/mol:

608.368619

ΔHf, kcal/mol:

-91.48

Dipole, Da:

3.74

IP(EA), eV:

 -9.18(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[3-(2-cyano-1H-indol-3-yl)-2-[[2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-3,4-dimethylpentanoyl]amino]propanoyl]amino]hexanoic acid

Drug info:

PubChemData

Smile

CCCCCNC(=O)C1=CC=CC=C1C2=CC=C(C=C2)CN3C4=CC=CC=C4CCC(C3=O)NC(=O)CC(C)(C)N

DOS

IR

Vibrations