Geometry & MOs

Info

ID:	87151
PubChem CID:	49892682
Reduced:	SCl2N2O5H26C29 (1)
Stoich.:	AB2C2D5E26F29 (1)
Weight, g/mol:	436.005133
ΔH_f, kcal/mol:	-149.06
Dipole, Da:	3.1
IP(EA), eV:	-8.67(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-chloro-4-[(Z)-[3-[(2-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=C(C=C(C=C3)Cl)Cl)OCC(=O)NC4=CC(=C(C=C4)C)C

DOS

IR

Vibrations