Geometry & MOs

Info

ID:	302340
PubChem CID:	124361330
Reduced:	NS3O7C12H23 (1)
Stoich.:	AB3C7D12E23 (1)
Weight, g/mol:	415.163102
ΔH_f, kcal/mol:	-324.27
Dipole, Da:	3.85
IP(EA), eV:	-8.8(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R)-2-[[2-[3-hydroxy-4-(2-phenoxyacetyl)phenoxy]acetyl]amino]-3-methylpentanoic acid

Drug info:

PubChemData

Smile

COC(=O)CCCC[C@H]1[C@H]([C@@H](CS1)NS(=O)(=O)C)OS(=O)(=O)C

DOS

IR

Vibrations