Geometry & MOs

Info

ID:	54593
PubChem CID:	17388957
Reduced:	S2N3O4C18H25 (1)
Stoich.:	A2B3C4D18E25 (1)
Weight, g/mol:	339.071134
ΔH_f, kcal/mol:	-136.71
Dipole, Da:	4.15
IP(EA), eV:	-8.66(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-morpholin-4-yl-2-sulfanylideneacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C(=S)NN3CCOCC3

DOS

IR

Vibrations