Geometry & MOs

Info

ID:	19858
PubChem CID:	574276
Reduced:	NSO5H11C14 (1)
Stoich.:	ABC5D11E14 (1)
Weight, g/mol:	305.035794
ΔH_f, kcal/mol:	-136.77
Dipole, Da:	2.03
IP(EA), eV:	-8.79(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-(thiophene-2-carbonylamino)-1,3-benzodioxole-5-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=CC2=C(C=C1NC(=O)C3=CC=CS3)OCO2

DOS

IR

Vibrations