Geometry & MOs

Info

ID:

109845

PubChem CID:

50299700

Reduced:

F3N6O6C41H41 (1)

Stoich.:

A3B6C6D41E41 (1)

Weight, g/mol:

673.226739

ΔHf, kcal/mol:

-300.3

Dipole, Da:

6.68

IP(EA), eV:

 -9.18(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC(=C(C=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)F)NC(=O)C6=CC=CC=C6OC

DOS

IR

Vibrations