Geometry & MOs

Info

ID:	171091
PubChem CID:	75326992
Reduced:	SN2O4H24C30 (1)
Stoich.:	AB2C4D24E30 (1)
Weight, g/mol:	479.119129
ΔH_f, kcal/mol:	-59.71
Dipole, Da:	2.87
IP(EA), eV:	-8.92(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)COC2=CC=C(C=C2)C=C3C(=O)N(C(=O)S3)CC4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations