Geometry & MOs

Info

ID:	47896
PubChem CID:	10535765
Reduced:	ON2C11H16 (1)
Stoich.:	AB2C11D16 (1)
Weight, g/mol:	192.082016
ΔH_f, kcal/mol:	6.25
Dipole, Da:	2.55
IP(EA), eV:	-8.12(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,5R,6R)-2-ethylsulfanyl-6-methyloxane-3,5-diol

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1/C=N/O)C)N(C)C

DOS

IR

Vibrations