Geometry & MOs

Info

ID:

113854

PubChem CID:

50461582

Reduced:

BrFO5N6C32H34 (1)

Stoich.:

ABC5D6E32F34 (1)

Weight, g/mol:

641.197188

ΔHf, kcal/mol:

-204.8

Dipole, Da:

3.51

IP(EA), eV:

 -9.16(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(2,4-dichloroanilino)-1-oxopropan-2-yl]-1-[2-[3-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=CC(=C(C=C3)Br)C(=O)N)C(=O)NC4=CC(=CC=C4)F

DOS

IR

Vibrations