Geometry & MOs

Info

ID:	277319
PubChem CID:	103827815
Reduced:	OSN3C11H19 (1)
Stoich.:	ABC3D11E19 (1)
Weight, g/mol:	305.086784
ΔH_f, kcal/mol:	-42.71
Dipole, Da:	3.66
IP(EA), eV:	-9.4(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CN=C(S1)CNC(=O)C(C(C)(C)C)N

DOS

IR

Vibrations