Geometry & MOs

Info

ID:

108987

PubChem CID:

50267111

Reduced:

O4N5C31H35 (1)

Stoich.:

A4B5C31D35 (1)

Weight, g/mol:

669.276276

ΔHf, kcal/mol:

-115.55

Dipole, Da:

9.64

IP(EA), eV:

 -8.68(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-fluoro-5-[(2-methoxybenzoyl)amino]phenyl]-1-[2-[4-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC=CC(=C4C)C(=O)N

DOS

IR

Vibrations