Geometry & MOs

Info

ID:

97078

PubChem CID:

50027461

Reduced:

F3O4N5H34C36 (1)

Stoich.:

A3B4C5D34E36 (1)

Weight, g/mol:

673.226739

ΔHf, kcal/mol:

-229.52

Dipole, Da:

5.94

IP(EA), eV:

 -8.64(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(4-chlorobenzoyl)amino]-4-methylphenyl]-1-[2-[5-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)NC4=CC(=C(C=C4)C)NC(=O)C5=CC=CC=C5F

DOS

IR

Vibrations