Geometry & MOs

Info

ID:	203154
PubChem CID:	79788321
Reduced:	IN2C10H15 (1)
Stoich.:	AB2C10D15 (1)
Weight, g/mol:	311.94295
ΔH_f, kcal/mol:	35.5
Dipole, Da:	3.95
IP(EA), eV:	-9.18(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-iodopyrazol-1-yl)thiolane 1,1-dioxide

Drug info:

PubChemData

Smile

CC1CCCC(C1)N2C=CC(=N2)I

DOS

IR

Vibrations