Geometry & MOs

Info

ID:	315056
PubChem CID:	126624298
Reduced:	SN3O6C18H35 (1)
Stoich.:	AB3C6D18E35 (1)
Weight, g/mol:	245.162708
ΔH_f, kcal/mol:	-318.11
Dipole, Da:	9.79
IP(EA), eV:	-8.89(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2,4-dihydroxy-3,3-dimethyl-N-(4-methyl-3-oxopentyl)butanamide

Drug info:

PubChemData

Smile

CC(C)(CCC(C)(NCCCC[C@@H](C(=O)O)N)S)OC(=O)C(CCC(=O)O)N

DOS

IR

Vibrations