Geometry & MOs

Info

ID:

112677

PubChem CID:

50415844

Reduced:

ClFO4N5C36H41 (1)

Stoich.:

ABC4D5E36F41 (1)

Weight, g/mol:

732.268331

ΔHf, kcal/mol:

-193.55

Dipole, Da:

4.99

IP(EA), eV:

 -8.92(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC3=C(C=C(C=C3)Cl)C(=O)NC4CCCCC4)C(=O)NCC5=CC=C(C=C5)F

DOS

IR

Vibrations