Geometry & MOs

Info

ID:

101646

PubChem CID:

50064917

Reduced:

F3O4N5C34H36 (1)

Stoich.:

A3B4C5D34E36 (1)

Weight, g/mol:

671.253095

ΔHf, kcal/mol:

-253.6

Dipole, Da:

9.23

IP(EA), eV:

 -9.1(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[5-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[4-(trifluoromethyl)phenyl]pyrrolidine-2-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)N4CCCC4C(=O)NCC5=CC=C(C=C5)F

DOS

IR

Vibrations