Geometry & MOs

Info

ID:	167646
PubChem CID:	74851881
Reduced:	N2S2O4C23H30 (1)
Stoich.:	A2B2C4D23E30 (1)
Weight, g/mol:	275.163377
ΔH_f, kcal/mol:	-110.37
Dipole, Da:	3.52
IP(EA), eV:	-8.64(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methylpiperazin-1-yl)ethanimine

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CN(C)C(=O)C(CCSC)NS(=O)(=O)C=CC2=CC=CC=C2

DOS

IR

Vibrations