Geometry & MOs

Info

ID:	23995
PubChem CID:	607360
Reduced:	NSO4C13H13 (1)
Stoich.:	ABC4D13E13 (1)
Weight, g/mol:	279.056529
ΔH_f, kcal/mol:	-116.47
Dipole, Da:	0.91
IP(EA), eV:	-8.94(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 4-thiophen-2-yl-1,4-dihydropyridine-3,5-dicarboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=CNC=C(C1C2=CC=CS2)C(=O)OC

DOS

IR

Vibrations