Geometry & MOs

Info

ID:	204441
PubChem CID:	79966400
Reduced:	ClFOSN2C9H10 (1)
Stoich.:	ABCDE2F9G10 (1)
Weight, g/mol:	212.061949
ΔH_f, kcal/mol:	-59.11
Dipole, Da:	1.51
IP(EA), eV:	-8.78(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methylpyrazol-3-yl)-(1,4-oxathian-2-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=N1)C2CSCCO2)Cl)F

DOS

IR

Vibrations