Geometry & MOs

Info

ID:	192851
PubChem CID:	78320733
Reduced:	F3O3N4H15C20 (1)
Stoich.:	A3B3C4D15E20 (1)
Weight, g/mol:	683.108024
ΔH_f, kcal/mol:	-140.63
Dipole, Da:	3.04
IP(EA), eV:	-8.74(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-[[2-[4-(trifluoromethoxy)phenyl]-6-[4-(trifluoromethyl)phenyl]pyridin-4-yl]methyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1C(CC1OC2=NN3C(=NC=C3C4=CC5=CC=CC=C5O4)C=C2)NC(=O)C(F)(F)F

DOS

IR

Vibrations