Geometry & MOs

Info

ID:	277932
PubChem CID:	103832003
Reduced:	SN3O3C12H19 (1)
Stoich.:	AB3C3D12E19 (1)
Weight, g/mol:	238.179361
ΔH_f, kcal/mol:	-113.96
Dipole, Da:	9.94
IP(EA), eV:	-9.65(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-(1-imidazol-1-ylpropan-2-yl)hexanamide

Drug info:

PubChemData

Smile

CCCC[C@@H](C(=O)NC1=CN=C(C=C1)S(=O)(=O)C)N

DOS

IR

Vibrations