Geometry & MOs

Info

ID:	437478
PubChem CID:	135226403
Reduced:	SO3N4C12H18 (1)
Stoich.:	AB3C4D12E18 (1)
Weight, g/mol:	166.031317
ΔH_f, kcal/mol:	-101.2
Dipole, Da:	4.24
IP(EA), eV:	-9.43(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-3a,6a-dihydro-1H-pyrazolo[4,3-d][1,3]thiazole-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=NC2C(S1)N(N=C2C(=O)N)CC(=O)OC(C)(C)C

DOS

IR

Vibrations