Geometry & MOs

Info

ID:	388055
PubChem CID:	134987982
Reduced:	NO3C11H19 (1)
Stoich.:	AB3C11D19 (1)
Weight, g/mol:	278.134051
ΔH_f, kcal/mol:	-153.4
Dipole, Da:	4.55
IP(EA), eV:	-10.22(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-2,7-dimethyl-4-phenylsulfanyloctane-3,6-dione

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations