Geometry & MOs

Info

ID:

113983

PubChem CID:

50467042

Reduced:

F3O5N6C39H39 (1)

Stoich.:

A3B5C6D39E39 (1)

Weight, g/mol:

635.290783

ΔHf, kcal/mol:

-277.25

Dipole, Da:

5.56

IP(EA), eV:

 -8.89(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[3-[(2-methylbenzoyl)amino]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC(=C(C=C3)F)NC(=O)C4=CC=C(C=C4)F)C(=O)NC5=CC(=CC=C5)F

DOS

IR

Vibrations