Geometry & MOs

Info

ID:	87604
PubChem CID:	49895730
Reduced:	NSCl2O3H19C25 (1)
Stoich.:	ABC2D3E19F25 (1)
Weight, g/mol:	552.102493
ΔH_f, kcal/mol:	-56.43
Dipole, Da:	3.42
IP(EA), eV:	-9.21(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=CC(=C(C=C3)OCC4=CC=C(C=C4)Cl)Cl)/SC2=O

DOS

IR

Vibrations