Geometry & MOs

Info

ID:	55515
PubChem CID:	17395491
Reduced:	NOC8H12 (2)
Stoich.:	ABC8D12 (2)
Weight, g/mol:	335.076219
ΔH_f, kcal/mol:	-112.27
Dipole, Da:	1.65
IP(EA), eV:	-9.18(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[5-(2,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5-methyloxolan-2-one

Drug info:

PubChemData

Smile

CC1CCC(CC1)NC(=O)C2=C(C(=C(N2)C)C(=O)C)C

DOS

IR

Vibrations