Geometry & MOs

Info

ID:	29997
PubChem CID:	838796
Reduced:	O2S2N3C12H15 (1)
Stoich.:	A2B2C3D12E15 (1)
Weight, g/mol:	276.001178
ΔH_f, kcal/mol:	-14.3
Dipole, Da:	4.18
IP(EA), eV:	-9.67(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-6-chloro-3-(thiophen-2-ylmethylidene)chromen-4-one

Drug info:

PubChemData

Smile

CC1CCN(CC1)S(=O)(=O)C2=CC3=NSN=C3C=C2

DOS

IR

Vibrations