Geometry & MOs

Info

ID:	25090
PubChem CID:	618937
Reduced:	NS2O3H19C21 (1)
Stoich.:	AB2C3D19E21 (1)
Weight, g/mol:	397.080636
ΔH_f, kcal/mol:	-62.45
Dipole, Da:	3.92
IP(EA), eV:	-8.85(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-phenyl-2-[(2-phenylsulfanylacetyl)amino]thiophene-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CSC3=CC=CC=C3

DOS

IR

Vibrations