Geometry & MOs

Info

ID:	265420
PubChem CID:	103520218
Reduced:	SN2O2C12H14 (1)
Stoich.:	AB2C2D12E14 (1)
Weight, g/mol:	246.964082
ΔH_f, kcal/mol:	-42.43
Dipole, Da:	5.91
IP(EA), eV:	-8.54(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-chlorothiadiazol-4-yl)methylsulfanyl]-4-methyl-1,3-oxazole

Drug info:

PubChemData

Smile

CC1=CC(=C(N1)C)C(=O)CSC2=NC(=CO2)C

DOS

IR

Vibrations