Geometry & MOs

Info

ID:

102165

PubChem CID:

50065446

Reduced:

ClF4O4N5H30C31 (1)

Stoich.:

AB4C4D5E30F31 (1)

Weight, g/mol:

714.277753

ΔHf, kcal/mol:

-326.28

Dipole, Da:

10.76

IP(EA), eV:

 -8.96(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-1-[2-[5-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations