Geometry & MOs

Info

ID:	297412
PubChem CID:	117617011
Reduced:	SN2O3H20C21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	380.119464
ΔH_f, kcal/mol:	-32.94
Dipole, Da:	1.54
IP(EA), eV:	-8.89(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-ethylimino-3-(2-methylphenyl)-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CCC(C)N=C1N(C(=O)/C(=C/C2=CC3=C(C=C2)OCO3)/S1)C4=CC=CC=C4

DOS

IR

Vibrations