Geometry & MOs

Info

ID:

112803

PubChem CID:

50420933

Reduced:

F2O5N6C39H40 (1)

Stoich.:

A2B5C6D39E40 (1)

Weight, g/mol:

687.242389

ΔHf, kcal/mol:

-229.12

Dipole, Da:

4.5

IP(EA), eV:

 -8.79(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-3-[(2-methylphenyl)carbamoyl]phenyl]-1-[1-[3-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC(=C(C=C3)F)NC(=O)C4=CC=CC=C4)C(=O)NCC5=CC=C(C=C5)F

DOS

IR

Vibrations