Geometry & MOs

Info

ID:	200307
PubChem CID:	79376428
Reduced:	SO2N3C11H15 (1)
Stoich.:	AB2C3D11E15 (1)
Weight, g/mol:	221.098669
ΔH_f, kcal/mol:	-46.05
Dipole, Da:	6.33
IP(EA), eV:	-9.07(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-5-[(1-methylcyclopentyl)amino]-1,2-thiazole-4-carbonitrile

Drug info:

PubChemData

Smile

CCOC(=O)CCCNC1=C(C(=NS1)C)C#N

DOS

IR

Vibrations