Geometry & MOs

Info

ID:

93337

PubChem CID:

49993629

Reduced:

FO4N5C37H44 (1)

Stoich.:

AB4C5D37E44 (1)

Weight, g/mol:

712.374847

ΔHf, kcal/mol:

-190.03

Dipole, Da:

10.73

IP(EA), eV:

 -8.86(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-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)NC4=CC(=C(C=C4)F)NC(=O)C5=CC=CC(=C5)C

DOS

IR

Vibrations