Geometry & MOs

Info

ID:	8654
PubChem CID:	79908
Reduced:	NSO4H5C6 (1)
Stoich.:	ABC4D5E6 (1)
Weight, g/mol:	186.993929
ΔH_f, kcal/mol:	-58.69
Dipole, Da:	5.16
IP(EA), eV:	-10.14(-2.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-nitrothiophene-2-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(S1)[N+](=O)[O-]

DOS

IR

Vibrations