Geometry & MOs

Info

ID:	87942
PubChem CID:	49898866
Reduced:	SN2O5H28C32 (1)
Stoich.:	AB2C5D28E32 (1)
Weight, g/mol:	465.103479
ΔH_f, kcal/mol:	-107.72
Dipole, Da:	1.1
IP(EA), eV:	-8.68(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NC(=O)COC2=C(C=C(C=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC5=CC=CC=C54)OC

DOS

IR

Vibrations