Geometry & MOs

Info

ID:	381433
PubChem CID:	134972164
Reduced:	N2O6C25H42 (1)
Stoich.:	A2B6C25D42 (1)
Weight, g/mol:	244.019415
ΔH_f, kcal/mol:	-286.43
Dipole, Da:	2.4
IP(EA), eV:	-8.61(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-(thiophen-2-ylmethylidene)-1,4-benzodioxin-3-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(CCCC[C@@H]1C2CC(C1=O)[C@@H]3CCCCN3C2)OC(=O)OC(C)(C)C

DOS

IR

Vibrations