Geometry & MOs

Info

ID:	145410
PubChem CID:	53519083
Reduced:	SN2O2C15H18 (1)
Stoich.:	AB2C2D15E18 (1)
Weight, g/mol:	287.025229
ΔH_f, kcal/mol:	-38.44
Dipole, Da:	7.56
IP(EA), eV:	-9.01(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-4-hydroxy-2-[(5-nitrothiophen-3-yl)methylidene]-3H-inden-1-one

Drug info:

PubChemData

Smile

CC1=NN(C2=C1CCCC2)C3=CC=C(C=C3)S(=O)(=O)C

DOS

IR

Vibrations