Geometry & MOs

Info

ID:	87469
PubChem CID:	49894829
Reduced:	NSO4H21C29 (1)
Stoich.:	ABC4D21E29 (1)
Weight, g/mol:	495.08103
ΔH_f, kcal/mol:	-56.86
Dipole, Da:	2.14
IP(EA), eV:	-9.3(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C(=O)/C(=C/C3=CC=CC=C3OC(=O)C4=CC=CC5=CC=CC=C54)/SC2=O

DOS

IR

Vibrations