Geometry & MOs

Info

ID:	86751
PubChem CID:	49888893
Reduced:	NSO6H21C26 (1)
Stoich.:	ABC6D21E26 (1)
Weight, g/mol:	493.075072
ΔH_f, kcal/mol:	-143.87
Dipole, Da:	6.5
IP(EA), eV:	-8.93(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)OC2=C(C=CC(=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC=C4)OC

DOS

IR

Vibrations