Geometry & MOs

Info

ID:

94286

PubChem CID:

49999390

Reduced:

N6O6C43H56 (1)

Stoich.:

A6B6C43D56 (1)

Weight, g/mol:

756.376597

ΔHf, kcal/mol:

-241.45

Dipole, Da:

5.7

IP(EA), eV:

 -8.49(-0.57)

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

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC=CC(=C4)NC(=O)C5=CC=CC=C5OC

DOS

IR

Vibrations