Geometry & MOs

Info

ID:

98359

PubChem CID:

50043080

Reduced:

BrF2O3N4C29H29 (1)

Stoich.:

AB2C3D4E29F29 (1)

Weight, g/mol:

696.287175

ΔHf, kcal/mol:

-162.45

Dipole, Da:

4.68

IP(EA), eV:

 -8.79(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)C)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=C(C=C4)Br)F

DOS

IR

Vibrations