Geometry & MOs

Info

ID:	289129
PubChem CID:	104337175
Reduced:	ClOSN2C16H19 (1)
Stoich.:	ABCD2E16F19 (1)
Weight, g/mol:	273.974981
ΔH_f, kcal/mol:	-8.52
Dipole, Da:	3.6
IP(EA), eV:	-9.06(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]sulfanyl-1,2,4-thiadiazole

Drug info:

PubChemData

Smile

CCOCC1=NC(=CC(=N1)Cl)SCC2=CC(=CC(=C2)C)C

DOS

IR

Vibrations