Geometry & MOs

Info

ID:	130960
PubChem CID:	51135810
Reduced:	SF2N2O2C22H22 (1)
Stoich.:	AB2C2D2E22F22 (1)
Weight, g/mol:	495.128649
ΔH_f, kcal/mol:	-106.78
Dipole, Da:	4.55
IP(EA), eV:	-9.32(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-ethoxyphenoxy)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CN(CC(=O)NC(C1=CC=C(C=C1)F)C2=CC=CS2)C(CO)C3=CC(=CC=C3)F

DOS

IR

Vibrations