Geometry & MOs

Info

ID:

102598

PubChem CID:

50068556

Reduced:

F3O4N5H36C37 (1)

Stoich.:

A3B4C5D36E37 (1)

Weight, g/mol:

653.281361

ΔHf, kcal/mol:

-234.23

Dipole, Da:

8.15

IP(EA), eV:

 -9.0(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[4-[(4-methylbenzoyl)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)C(C)N3CCC(CC3)C(=O)NC4=CC=CC(=C4C)C(=O)NC5=CC=CC=C5F

DOS

IR

Vibrations