Geometry & MOs

Info

ID:

94117

PubChem CID:

49998584

Reduced:

O5N6C36H50 (1)

Stoich.:

A5B6C36D50 (1)

Weight, g/mol:

728.345296

ΔHf, kcal/mol:

-229.17

Dipole, Da:

6.24

IP(EA), eV:

 -8.87(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-[(3-chlorobenzoyl)amino]anilino]-1-oxopropan-2-yl]-1-[1-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=CC=C(C=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4CCCCC4C)C

DOS

IR

Vibrations