Geometry & MOs

Info

ID:

99550

PubChem CID:

50051237

Reduced:

F3O4N5H36C37 (1)

Stoich.:

A3B4C5D36E37 (1)

Weight, g/mol:

683.291926

ΔHf, kcal/mol:

-237.33

Dipole, Da:

12.45

IP(EA), eV:

 -8.55(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(2-fluorobenzoyl)amino]-4-methoxyphenyl]-1-[1-[5-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)C)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC=CC=C4C(=O)NC5=C(C=CC(=C5)F)F

DOS

IR

Vibrations