Geometry & MOs

Info

ID:	265500
PubChem CID:	103525895
Reduced:	NSO2C6H9 (2)
Stoich.:	ABC2D6E9 (2)
Weight, g/mol:	265.088498
ΔH_f, kcal/mol:	-172.72
Dipole, Da:	3.52
IP(EA), eV:	-8.56(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-amino-5-cyano-2-(cyclobutylamino)thiophene-3-carboxylate

Drug info:

PubChemData

Smile

CCS(=O)(=O)C1=C(SC(=C1N)C(=O)OC)NC2CCC2

DOS

IR

Vibrations