Geometry & MOs

Info

ID:	399253
PubChem CID:	135039180
Reduced:	OC3H4 (3)
Stoich.:	AB3C4 (3)
Weight, g/mol:	230.170437
ΔH_f, kcal/mol:	-96.23
Dipole, Da:	2.67
IP(EA), eV:	-10.62(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-4-tert-butylsulfanylnonan-2-one

Drug info:

PubChemData

Smile

CC(C)C1OC(=O)C(O1)(C)C#C

DOS

IR

Vibrations