Geometry & MOs

Info

ID:	275283
PubChem CID:	103814978
Reduced:	OSN3C12H19 (1)
Stoich.:	ABC3D12E19 (1)
Weight, g/mol:	289.124883
ΔH_f, kcal/mol:	-33.06
Dipole, Da:	3.5
IP(EA), eV:	-9.04(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CN=C(S1)C(C)NC(=O)[C@H]2CCCCN2

DOS

IR

Vibrations