Geometry & MOs

Info

ID:

97015

PubChem CID:

50026840

Reduced:

F2N5O5C32H35 (1)

Stoich.:

A2B5C5D32E35 (1)

Weight, g/mol:

599.215567

ΔHf, kcal/mol:

-246.76

Dipole, Da:

10.61

IP(EA), eV:

 -8.72(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(2,5-difluoroanilino)-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)F)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NCC4=CC=C(C=C4)OC

DOS

IR

Vibrations