Geometry & MOs

Info

ID:	4684
PubChem CID:	11866
Reduced:	NSO2H3C4 (1)
Stoich.:	ABC2D3E4 (1)
Weight, g/mol:	128.98845
ΔH_f, kcal/mol:	24.56
Dipole, Da:	5.24
IP(EA), eV:	-9.9(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-nitrothiophene

Drug info:

PubChemData

Smile

C1=CSC(=C1)[N+](=O)[O-]

DOS

IR

Vibrations