Geometry & MOs

Info

ID:	373415
PubChem CID:	131314864
Reduced:	NSO3H9C11 (1)
Stoich.:	ABC3D9E11 (1)
Weight, g/mol:	235.030314
ΔH_f, kcal/mol:	0.76
Dipole, Da:	6.61
IP(EA), eV:	-9.47(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-7-nitro-1-benzothiophene-5-carbaldehyde

Drug info:

PubChemData

Smile

CCC1=C(C2=C(C=C1)SC=C2C=O)[N+](=O)[O-]

DOS

IR

Vibrations