Geometry & MOs

Info

ID:	314989
PubChem CID:	126624119
Reduced:	SN3O3C22H37 (1)
Stoich.:	AB3C3D22E37 (1)
Weight, g/mol:	185.986104
ΔH_f, kcal/mol:	-118.78
Dipole, Da:	5.41
IP(EA), eV:	-8.49(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

4-methyl-5-nitrothiophene-3-carboxylate

Drug info:

PubChemData

Smile

CCN(C1CCC(CC1)N2CC(C2)OCC)C3=C(C(=C(S3)CCN)C(=O)OC)C

DOS

IR

Vibrations