Geometry & MOs

Info

ID:

97368

PubChem CID:

50030659

Reduced:

F4O4N5H31C35 (1)

Stoich.:

A4B4C5D31E35 (1)

Weight, g/mol:

700.262103

ΔHf, kcal/mol:

-267.71

Dipole, Da:

11.72

IP(EA), eV:

 -8.96(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=CC=C4C(=O)NC5=C(C=CC=C5F)F

DOS

IR

Vibrations