Geometry & MOs

Info

ID:	375478
PubChem CID:	131529855
Reduced:	NSO3H7C10 (1)
Stoich.:	ABC3D7E10 (1)
Weight, g/mol:	221.014664
ΔH_f, kcal/mol:	1.31
Dipole, Da:	5.22
IP(EA), eV:	-9.46(-1.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1)C=O)SC(=C2)[N+](=O)[O-]

DOS

IR

Vibrations