Geometry & MOs

Info

ID:	275256
PubChem CID:	103814867
Reduced:	OSN3C11H17 (1)
Stoich.:	ABC3D11E17 (1)
Weight, g/mol:	255.140533
ΔH_f, kcal/mol:	-25.81
Dipole, Da:	3.62
IP(EA), eV:	-9.59(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-methylpentanamide

Drug info:

PubChemData

Smile

CCC1=CN=C(S1)CNC(=O)[C@H]2CCCN2

DOS

IR

Vibrations