Geometry & MOs

Info

ID:	171229
PubChem CID:	75346498
Reduced:	ClSN2O3H25C26 (1)
Stoich.:	ABC2D3E25F26 (1)
Weight, g/mol:	573.12798
ΔH_f, kcal/mol:	-73.82
Dipole, Da:	7.23
IP(EA), eV:	-8.41(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[[3-[2-(2,5-dimethylphenoxy)ethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]naphthalen-2-yl] 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)OCCN2C(=O)C(=CC3=C(N(C(=C3)C)C4=CC=C(C=C4)Cl)C)SC2=O

DOS

IR

Vibrations