Geometry & MOs

Info

ID:

94259

PubChem CID:

49999303

Reduced:

N3O3C22H29 (2)

Stoich.:

A3B3C22D29 (2)

Weight, g/mol:

770.392247

ΔHf, kcal/mol:

-226.93

Dipole, Da:

11.14

IP(EA), eV:

 -8.42(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-[(2-chlorobenzoyl)amino]-3-methylanilino]-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(=C(C=C4)NC(=O)C5=CC=CC=C5OC)C

DOS

IR

Vibrations