Geometry & MOs

Info

ID:

111982

PubChem CID:

50389866

Reduced:

FO4N5C38H46 (1)

Stoich.:

AB4C5D38E46 (1)

Weight, g/mol:

667.37337

ΔHf, kcal/mol:

-198.66

Dipole, Da:

7.03

IP(EA), eV:

 -9.07(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC=CC=C4C(=O)NC5=C(C=C(C=C5)F)C)C

DOS

IR

Vibrations