Geometry & MOs

Info

ID:	87048
PubChem CID:	49891165
Reduced:	SN3O8C17H17 (1)
Stoich.:	AB3C8D17E17 (1)
Weight, g/mol:	403.028121
ΔH_f, kcal/mol:	-204.89
Dipole, Da:	5.02
IP(EA), eV:	-9.36(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1O)[N+](=O)[O-])/C=C\2/C(=O)N(C(=O)S2)CC(=O)N3CCOCC3

DOS

IR

Vibrations