Geometry & MOs

Info

ID:	27618
PubChem CID:	822649
Reduced:	N2O4H18C19 (1)
Stoich.:	A2B4C18D19 (1)
Weight, g/mol:	284.050715
ΔH_f, kcal/mol:	-17.67
Dipole, Da:	5.17
IP(EA), eV:	-8.44(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]-1-benzothiophen-3-one

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C=NN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]3C2=O)C45CC5)O

DOS

IR

Vibrations