Geometry & MOs

Info

ID:	226797
PubChem CID:	87558365
Reduced:	SN2O3C31H32 (1)
Stoich.:	AB2C3D31E32 (1)
Weight, g/mol:	325.040879
ΔH_f, kcal/mol:	-44.41
Dipole, Da:	4.57
IP(EA), eV:	-8.09(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,5-dioxopyrrolidin-1-yl) 5-(2-phenylethynyl)thiophene-2-carboxylate

Drug info:

PubChemData

Smile

CCNC(=S)N(CCOC1=C(C=C(C=C1)CCC(=O)OC)C2=CC3=CC=CC=C3C=C2)C4=CC=CC=C4

DOS

IR

Vibrations