Geometry & MOs

Info

ID:	381201
PubChem CID:	134971859
Reduced:	NSO4C15H15 (1)
Stoich.:	ABC4D15E15 (1)
Weight, g/mol:	221.081384
ΔH_f, kcal/mol:	-116.93
Dipole, Da:	4.74
IP(EA), eV:	-9.82(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[3-(3-methoxy-3-oxoprop-1-en-2-yl)-1,3-dihydro-2-benzofuran-1-yl]oxidanium

Drug info:

PubChemData

Smile

CCOC(=O)C1=CSC(=N1)C(C)OC(=O)C2=CC=CC=C2

DOS

IR

Vibrations