Geometry & MOs

Info

ID:	337087
PubChem CID:	127256652
Reduced:	NO4C13H17 (1)
Stoich.:	AB4C13D17 (1)
Weight, g/mol:	222.071451
ΔH_f, kcal/mol:	-107.84
Dipole, Da:	3.01
IP(EA), eV:	-9.79(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-4-methyl-3-phenylsulfanyloxan-2-one

Drug info:

PubChemData

Smile

CCC1=CC(=O)/C(=C(/CC)\NOCC=C)/C(=O)O1

DOS

IR

Vibrations