Geometry & MOs

Info

ID:	375477
PubChem CID:	131529854
Reduced:	NSO3H7C10 (1)
Stoich.:	ABC3D7E10 (1)
Weight, g/mol:	221.014664
ΔH_f, kcal/mol:	3.57
Dipole, Da:	2.85
IP(EA), eV:	-9.53(-2.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-2-nitro-1-benzothiophene-7-carbaldehyde

Drug info:

PubChemData

Smile

CC1=CC(=C2C=CSC2=C1C=O)[N+](=O)[O-]

DOS

IR

Vibrations