Geometry & MOs

Info

ID:	250548
PubChem CID:	103097455
Reduced:	S2N3C11H17 (1)
Stoich.:	A2B3C11D17 (1)
Weight, g/mol:	223.114319
ΔH_f, kcal/mol:	43.41
Dipole, Da:	4.56
IP(EA), eV:	-8.72(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C#N)C1=NC(=CS1)C(CCSC)N

DOS

IR

Vibrations