Geometry & MOs

Info

ID:	192593
PubChem CID:	78288360
Reduced:	SN2O5C23H28 (1)
Stoich.:	AB2C5D23E28 (1)
Weight, g/mol:	397.073242
ΔH_f, kcal/mol:	-146.83
Dipole, Da:	6.23
IP(EA), eV:	-8.87(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[5-(1,3-benzodioxol-5-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C=CC3=C(C(=CC=C3)OC)OC)C

DOS

IR

Vibrations