Geometry & MOs

Info

ID:	250288
PubChem CID:	103095353
Reduced:	ClOSN2C12H13 (1)
Stoich.:	ABCD2E12F13 (1)
Weight, g/mol:	300.015783
ΔH_f, kcal/mol:	29.3
Dipole, Da:	4.16
IP(EA), eV:	-9.14(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-chloropropyl)-5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CCC(C1=NOC(=N1)CSC2=CC=CC=C2)Cl

DOS

IR

Vibrations