Geometry & MOs

Info

ID:

97735

PubChem CID:

50034266

Reduced:

ClF2O4N5H36C37 (1)

Stoich.:

AB2C4D5E36F37 (1)

Weight, g/mol:

673.226739

ΔHf, kcal/mol:

-190.97

Dipole, Da:

7.37

IP(EA), eV:

 -8.65(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-benzamido-3-chlorophenyl)-1-[1-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC2=C(C=C(C=C2)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5=C(C=CC=C5F)F)C)Cl

DOS

IR

Vibrations