Geometry & MOs

Info

ID:	86769
PubChem CID:	49889140
Reduced:	ClSN2O6H21C26 (1)
Stoich.:	ABC2D6E21F26 (1)
Weight, g/mol:	417.043771
ΔH_f, kcal/mol:	-81.93
Dipole, Da:	3.69
IP(EA), eV:	-8.81(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[4-[(Z)-[3-[(4-chlorophenyl)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=C(C=C3)Cl)OCC4=CC=CC=C4[N+](=O)[O-]

DOS

IR

Vibrations