Geometry & MOs

Info

ID:	87552
PubChem CID:	49895321
Reduced:	NSO4H25C30 (1)
Stoich.:	ABC4D25E30 (1)
Weight, g/mol:	525.091594
ΔH_f, kcal/mol:	-57.29
Dipole, Da:	4.74
IP(EA), eV:	-8.65(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-methoxy-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=C1CN2C(=O)/C(=C/C3=CC(=C(C=C3)OCC4=CC=CC5=CC=CC=C54)OC)/SC2=O

DOS

IR

Vibrations