Geometry & MOs

Info

ID:	204438
PubChem CID:	79966036
Reduced:	NSC8H13 (2)
Stoich.:	ABC8D13 (2)
Weight, g/mol:	272.06532
ΔH_f, kcal/mol:	2.11
Dipole, Da:	1.84
IP(EA), eV:	-8.7(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-one

Drug info:

PubChemData

Smile

CCCNC(CC1=NC=C(C=C1)CC)C2CSCCS2

DOS

IR

Vibrations