Geometry & MOs

Info

ID:	88016
PubChem CID:	49899861
Reduced:	ClNSO4H22C29 (1)
Stoich.:	ABCD4E22F29 (1)
Weight, g/mol:	565.042057
ΔH_f, kcal/mol:	-59.7
Dipole, Da:	5.77
IP(EA), eV:	-8.91(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC4=CC=CC=C4C=C3)OCC5=CC(=CC=C5)Cl

DOS

IR

Vibrations