Geometry & MOs

Info

ID:

92914

PubChem CID:

49990507

Reduced:

O5N6C43H56 (1)

Stoich.:

A5B6C43D56 (1)

Weight, g/mol:

756.376597

ΔHf, kcal/mol:

-212.61

Dipole, Da:

5.01

IP(EA), eV:

 -8.26(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-[(4-chlorobenzoyl)amino]-3-methylanilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[5-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC2=C(C=C(C=C2)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5CCCCC5)C)C

DOS

IR

Vibrations