Geometry & MOs

Info

ID:

112820

PubChem CID:

50421466

Reduced:

ClFO4N5C32H35 (1)

Stoich.:

ABC4D5E32F35 (1)

Weight, g/mol:

641.197188

ΔHf, kcal/mol:

-179.14

Dipole, Da:

7.11

IP(EA), eV:

 -8.87(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(3,5-dichloroanilino)-3-oxopropyl]-1-[2-[3-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC=CC=C3Cl)C(=O)NCC4=CC=C(C=C4)F

DOS

IR

Vibrations