Geometry & MOs

Info

ID:	87690
PubChem CID:	49896541
Reduced:	NSO3H19C24 (1)
Stoich.:	ABC3D19E24 (1)
Weight, g/mol:	515.086115
ΔH_f, kcal/mol:	-33.83
Dipole, Da:	2.95
IP(EA), eV:	-9.17(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(Z)-[3-[(4-methylphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] naphthalene-2-sulfonate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C(=O)/C(=C/C3=CC(=CC=C3)OC4=CC=CC=C4)/SC2=O

DOS

IR

Vibrations