Geometry & MOs

Info

ID:	67511
PubChem CID:	46506615
Reduced:	ClSN4O6H27C28 (1)
Stoich.:	ABC4D6E27F28 (1)
Weight, g/mol:	423.101955
ΔH_f, kcal/mol:	-197.61
Dipole, Da:	4.48
IP(EA), eV:	-8.98(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[(2-chlorophenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-N-(4-ethoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)N2C(=O)C3=C(N(C2=O)CC(=O)NC4=CC(=CC(=C4)OC)OC)SC5=C3CCN(C5)C(=O)C

DOS

IR

Vibrations