Geometry & MOs

Info

ID:	250547
PubChem CID:	103097419
Reduced:	SN3C12H19 (1)
Stoich.:	AB3C12D19 (1)
Weight, g/mol:	255.08639
ΔH_f, kcal/mol:	27.01
Dipole, Da:	3.03
IP(EA), eV:	-9.46(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(1-amino-3-methylsulfanylpropyl)-1,3-thiazol-2-yl]-2-methylpropanenitrile

Drug info:

PubChemData

Smile

CC(C)CC(C1=CSC(=N1)C(C)(C)C#N)N

DOS

IR

Vibrations