Geometry & MOs

Info

ID:	372681
PubChem CID:	131302055
Reduced:	SO4H10C11 (1)
Stoich.:	AB4C10D11 (1)
Weight, g/mol:	181.067369
ΔH_f, kcal/mol:	-147.38
Dipole, Da:	6.4
IP(EA), eV:	-9.16(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-3-(2,5-dimethyl-1,3-thiazol-4-yl)propanenitrile

Drug info:

PubChemData

Smile

C1=CSC2=C(C(=C(C=C21)CC(=O)O)O)CO

DOS

IR

Vibrations