Geometry & MOs

Info

ID:

93848

PubChem CID:

49997175

Reduced:

FO3N4C30H39 (1)

Stoich.:

AB3C4D30E39 (1)

Weight, g/mol:

734.415569

ΔHf, kcal/mol:

-169.17

Dipole, Da:

3.89

IP(EA), eV:

 -9.05(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-methyl-3-[(4-methylbenzoyl)amino]phenyl]-1-[1-[2-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations