Geometry & MOs

Info

ID:	30109
PubChem CID:	839988
Reduced:	ON2H8C9 (2)
Stoich.:	AB2C8D9 (2)
Weight, g/mol:	314.06128
ΔH_f, kcal/mol:	-10.54
Dipole, Da:	8.56
IP(EA), eV:	-8.59(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1-benzothiophen-3-one

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)N2C(=O)C3=C4C(=C(C=C3)N)C=CC=C4C2=O

DOS

IR

Vibrations