Geometry & MOs

Info

ID:

120121

PubChem CID:

50714708

Reduced:

ClF2O4N5H32C35 (1)

Stoich.:

AB2C4D5E32F35 (1)

Weight, g/mol:

655.23616

ΔHf, kcal/mol:

-180.13

Dipole, Da:

6.41

IP(EA), eV:

 -8.87(-0.83)

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-[(2-methylbenzoyl)amino]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2)Cl)N3CCC(CC3)C(=O)NC4=C(C=CC(=C4)NC(=O)C5=CC=CC=C5F)F

DOS

IR

Vibrations