Geometry & MOs

Info

ID:

104194

PubChem CID:

50096569

Reduced:

F3O4N5H32C35 (1)

Stoich.:

A3B4C5D32E35 (1)

Weight, g/mol:

673.251204

ΔHf, kcal/mol:

-216.39

Dipole, Da:

10.76

IP(EA), eV:

 -8.98(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[2-fluoro-5-[(3-methoxybenzoyl)amino]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations