Geometry & MOs

Info

ID:	200309
PubChem CID:	79376430
Reduced:	SF3N3H6C11 (1)
Stoich.:	AB3C3D6E11 (1)
Weight, g/mol:	207.083019
ΔH_f, kcal/mol:	-48.35
Dipole, Da:	3.45
IP(EA), eV:	-9.38(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-cyclopropylethylamino)-3-methyl-1,2-thiazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=NSC(=C1C#N)NC2=C(C=C(C=C2F)F)F

DOS

IR

Vibrations