Geometry & MOs

Info

ID:	182244
PubChem CID:	76863096
Reduced:	ClNSO2C16H16 (1)
Stoich.:	ABCD2E16F16 (1)
Weight, g/mol:	378.103814
ΔH_f, kcal/mol:	-29.58
Dipole, Da:	4.02
IP(EA), eV:	-9.47(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-[(7-methoxy-1-benzofuran-2-yl)methylidene]-4,5-dimethyl-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-trien-2-one

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)NS(=O)(=O)C=CC2=CC=C(C=C2)Cl

DOS

IR

Vibrations