Geometry & MOs

Info

ID:	87444
PubChem CID:	49894662
Reduced:	SN2O2H20C22 (1)
Stoich.:	AB2C2D20E22 (1)
Weight, g/mol:	549.047143
ΔH_f, kcal/mol:	-20.09
Dipole, Da:	4.96
IP(EA), eV:	-8.56(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(Z)-[3-[(3-methylphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]naphthalen-2-yl] 4-chlorobenzenesulfonate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C(=O)/C(=C/C3=C(N(C4=CC=CC=C43)C)C)/SC2=O

DOS

IR

Vibrations