Geometry & MOs

Info

ID:	24113
PubChem CID:	607895
Reduced:	NS2O3C17H19 (1)
Stoich.:	AB2C3D17E19 (1)
Weight, g/mol:	349.080636
ΔH_f, kcal/mol:	-102.85
Dipole, Da:	3.06
IP(EA), eV:	-8.71(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-ethyl-2-[(2-phenylsulfanylacetyl)amino]thiophene-3-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC(=C(S1)NC(=O)CSC2=CC=CC=C2)C(=O)OCC

DOS

IR

Vibrations