Geometry & MOs

Info

ID:	296652
PubChem CID:	117587474
Reduced:	ClSN2O3C17H21 (1)
Stoich.:	ABC2D3E17F21 (1)
Weight, g/mol:	381.168856
ΔH_f, kcal/mol:	-110.6
Dipole, Da:	7.1
IP(EA), eV:	-9.48(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-(4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CS(=O)(=O)N1C2CCC1CC(C2)NC(=O)/C=C/C3=CC=C(C=C3)Cl

DOS

IR

Vibrations