Geometry & MOs

Info

ID:

94942

PubChem CID:

50005118

Reduced:

O5N6C33H46 (1)

Stoich.:

A5B6C33D46 (1)

Weight, g/mol:

620.368619

ΔHf, kcal/mol:

-204.65

Dipole, Da:

10.98

IP(EA), eV:

 -8.93(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[2-[3-(2-methylbutanoylamino)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC=CC(=C3)C(=O)N(C)C

DOS

IR

Vibrations