Geometry & MOs

Info

ID:	343757
PubChem CID:	127266933
Reduced:	OSN3C12H21 (1)
Stoich.:	ABC3D12E21 (1)
Weight, g/mol:	308.110711
ΔH_f, kcal/mol:	-22.53
Dipole, Da:	6.53
IP(EA), eV:	-9.22(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-amino-2-fluorophenyl)-3-[methyl(1,2-thiazol-5-ylmethyl)amino]propanamide

Drug info:

PubChemData

Smile

CCCCNC(=O)C(C)N(C)CC1=CC=NS1

DOS

IR

Vibrations