Geometry & MOs

Info

ID:

100609

PubChem CID:

50063118

Reduced:

F3O4N5H34C36 (1)

Stoich.:

A3B4C5D34E36 (1)

Weight, g/mol:

653.281361

ΔHf, kcal/mol:

-229.6

Dipole, Da:

5.11

IP(EA), eV:

 -8.75(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-fluoro-3-[(2-methylbenzoyl)amino]phenyl]-1-[1-[5-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC(=C(C=C4)F)NC(=O)C5=CC=CC=C5F

DOS

IR

Vibrations