Geometry & MOs

Info

ID:

94741

PubChem CID:

50003510

Reduced:

N3O3C20H26 (2)

Stoich.:

A3B3C20D26 (2)

Weight, g/mol:

694.360946

ΔHf, kcal/mol:

-244.57

Dipole, Da:

6.52

IP(EA), eV:

 -8.27(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[1-[3-chloro-4-(cyclopentylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC(=C(C=C3)OC)NC(=O)C4=CC=CC=C4C

DOS

IR

Vibrations