Geometry & MOs

Info

ID:	86753
PubChem CID:	49888900
Reduced:	INSO5H20C26 (1)
Stoich.:	ABCD5E20F26 (1)
Weight, g/mol:	459.114044
ΔH_f, kcal/mol:	-92.47
Dipole, Da:	6.44
IP(EA), eV:	-8.59(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(Z)-(3-benzyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-6-methoxyphenyl] 4-methylbenzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2I)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC=C4)OC

DOS

IR

Vibrations