Geometry & MOs

Info

ID:	88122
PubChem CID:	49901699
Reduced:	SCl2N2O3H12C19 (1)
Stoich.:	AB2C2D3E12F19 (1)
Weight, g/mol:	588.102493
ΔH_f, kcal/mol:	-33.11
Dipole, Da:	6.66
IP(EA), eV:	-9.55(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-methoxy-6-[(Z)-[3-(naphthalen-2-ylmethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] 4-acetamidobenzenesulfonate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)OCC#N)/C=C\2/C(=O)N(C(=O)S2)CC3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations