Geometry & MOs

Info

ID:

120122

PubChem CID:

50714709

Reduced:

ClFO4N5H35C36 (1)

Stoich.:

ABC4D5E35F36 (1)

Weight, g/mol:

655.23616

ΔHf, kcal/mol:

-141.92

Dipole, Da:

7.73

IP(EA), eV:

 -8.78(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[2-fluoro-5-[(3-methylbenzoyl)amino]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NC2=CC(=C(C=C2)F)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC=CC=C5)Cl

DOS

IR

Vibrations