Geometry & MOs

Info

ID:	87550
PubChem CID:	49895307
Reduced:	ClNSO4H20C21 (1)
Stoich.:	ABCD4E20F21 (1)
Weight, g/mol:	411.114044
ΔH_f, kcal/mol:	-116.11
Dipole, Da:	4.7
IP(EA), eV:	-8.74(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[4-[(Z)-[3-[(2-methylphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetate

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC(=C3)C)Cl)OC

DOS

IR

Vibrations