Geometry & MOs

Info

ID:

113551

PubChem CID:

50450333

Reduced:

F2N5O5C32H35 (1)

Stoich.:

A2B5C5D32E35 (1)

Weight, g/mol:

732.268331

ΔHf, kcal/mol:

-246.73

Dipole, Da:

6.06

IP(EA), eV:

 -8.35(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)NC4=C(C=C(C=C4)F)F

DOS

IR

Vibrations