Geometry & MOs

Info

ID:	402617
PubChem CID:	135056591
Reduced:	FeOPC15H24 (1)
Stoich.:	ABCD15E24 (1)
Weight, g/mol:	217.052112
ΔH_f, kcal/mol:	38.95
Dipole, Da:	1.72
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.806618
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-3a,6a-dimethyl-6H-pyrazolo[3,4-d][1,2]thiazole 1,1-dioxide

Drug info:

PubChemData

Smile

[CH3-].[CH3-].CC1=CPC(=C1C)[C@@H](C)O.[CH-]1C=CC=C1.[Fe+3]

DOS

IR

Vibrations