Geometry & MOs

Info

ID:	401920
PubChem CID:	135053386
Reduced:	ON2C7H9 (2)
Stoich.:	AB2C7D9 (2)
Weight, g/mol:	340.040545
ΔH_f, kcal/mol:	-0.97
Dipole, Da:	8.29
IP(EA), eV:	-8.62(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)sulfanylcyclobut-3-ene-1,2-dione

Drug info:

PubChemData

Smile

CN(C)CCCNC1=CN=NC2=CC3=C(C=C21)OCO3

DOS

IR

Vibrations