Geometry & MOs

Info

ID:	268419
PubChem CID:	103599318
Reduced:	SN3O3C23H25 (1)
Stoich.:	AB3C3D23E25 (1)
Weight, g/mol:	413.06009
ΔH_f, kcal/mol:	-31.56
Dipole, Da:	1.23
IP(EA), eV:	-8.35(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(7-chloro-1,3-benzodioxol-5-yl)-N-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)OC1=C(C=C(C=C1)C=CC(=O)NC(C)C2=NC(=CS2)C3=CN=CC=C3)OC

DOS

IR

Vibrations