Geometry & MOs

Info

ID:

93585

PubChem CID:

49995602

Reduced:

NOC7H9 (6)

Stoich.:

ABC7D9 (6)

Weight, g/mol:

742.360946

ΔHf, kcal/mol:

-239.2

Dipole, Da:

3.04

IP(EA), eV:

 -8.7(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC=CC(=C4)NC(=O)C5=CC=CC=C5OC

DOS

IR

Vibrations