Geometry & MOs

Info

ID:

96002

PubChem CID:

50018319

Reduced:

F2O3N4C31H34 (1)

Stoich.:

A2B3C4D31E34 (1)

Weight, g/mol:

671.271939

ΔHf, kcal/mol:

-174.36

Dipole, Da:

6.88

IP(EA), eV:

 -8.9(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(2,4-difluorophenyl)carbamoyl]phenyl]-1-[1-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)NCC4=CC=C(C=C4)F

DOS

IR

Vibrations