Geometry & MOs

Info

ID:	301951
PubChem CID:	123101645
Reduced:	NSO4C17H25 (1)
Stoich.:	ABC4D17E25 (1)
Weight, g/mol:	385.032161
ΔH_f, kcal/mol:	-146.66
Dipole, Da:	4.79
IP(EA), eV:	-8.55(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-chlorophenyl)methylsulfinyl]-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)OCCCS(=O)CC(=O)N2CCOCC2

DOS

IR

Vibrations