Geometry & MOs

Info

ID:	79437
PubChem CID:	49748626
Reduced:	SCl2N2O3H16C17 (1)
Stoich.:	AB2C2D3E16F17 (1)
Weight, g/mol:	417.081698
ΔH_f, kcal/mol:	-99.57
Dipole, Da:	3.15
IP(EA), eV:	-8.47(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzoxazol-2-ylsulfanyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2CCCS2(=O)=O)NC(=O)C3=CC(=CC(=C3)Cl)Cl

DOS

IR

Vibrations