Geometry & MOs

Info

ID:	27180
PubChem CID:	818979
Reduced:	NSH7C8 (1)
Stoich.:	ABC7D8 (1)
Weight, g/mol:	215.025229
ΔH_f, kcal/mol:	54.84
Dipole, Da:	2.15
IP(EA), eV:	-8.33(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(2-nitroethyl)thiophene-2-carboxylate

Drug info:

PubChemData

Smile

C1=CNC(=C1)C2=CSC=C2

DOS

IR

Vibrations