Geometry & MOs

Info

ID:

112804

PubChem CID:

50420966

Reduced:

ClF2O4N5H36C37 (1)

Stoich.:

AB2C4D5E36F37 (1)

Weight, g/mol:

597.195439

ΔHf, kcal/mol:

-196.24

Dipole, Da:

0.67

IP(EA), eV:

 -8.81(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(5-carbamoyl-2-chlorophenyl)-1-[1-[3-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC=CC(=C4C)C(=O)NC5=C(C=CC(=C5)F)F)Cl

DOS

IR

Vibrations