Geometry & MOs

Info

ID:	79355
PubChem CID:	49748198
Reduced:	SN2O2H16C17 (1)
Stoich.:	AB2C2D16E17 (1)
Weight, g/mol:	352.097855
ΔH_f, kcal/mol:	-43.97
Dipole, Da:	5.07
IP(EA), eV:	-8.2(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2-chlorophenyl)-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CSC(=C1)C(=O)NC2=CC3=C4C(=C2)CC(=O)N4CCC3

DOS

IR

Vibrations