Geometry & MOs

Info

ID:

107871

PubChem CID:

50222201

Reduced:

F2O5N6C39H40 (1)

Stoich.:

A2B5C6D39E40 (1)

Weight, g/mol:

728.293403

ΔHf, kcal/mol:

-233.72

Dipole, Da:

7.42

IP(EA), eV:

 -9.01(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-[(3,4-difluorophenyl)carbamoyl]-6-methylanilino]-2-oxoethyl]-1-[2-[4-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC2=CC(=CC=C2)F)NC(=O)CNC(=O)C3CCN(CC3)CC(=O)NC4=C(C=C(C=C4)C(=O)NCC5=CC=C(C=C5)F)C

DOS

IR

Vibrations