Geometry & MOs

Info

ID:

108876

PubChem CID:

50262697

Reduced:

ClF3O4N5C32H33 (1)

Stoich.:

AB3C4D5E32F33 (1)

Weight, g/mol:

669.17622

ΔHf, kcal/mol:

-268.95

Dipole, Da:

10.9

IP(EA), eV:

 -9.0(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=CC(=C(C=C4)F)Cl

DOS

IR

Vibrations