Geometry & MOs

Info

ID:

113685

PubChem CID:

50454920

Reduced:

ClO3N4C29H31 (1)

Stoich.:

AB3C4D29E31 (1)

Weight, g/mol:

714.277753

ΔHf, kcal/mol:

-82.87

Dipole, Da:

4.56

IP(EA), eV:

 -8.89(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC(=CC=C3)Cl)C(=O)NC4=CC=CC=C4

DOS

IR

Vibrations