Geometry & MOs

Info

ID:	27450
PubChem CID:	821407
Reduced:	NOSC13H21 (1)
Stoich.:	ABCD13E21 (1)
Weight, g/mol:	187.103085
ΔH_f, kcal/mol:	-68.43
Dipole, Da:	8.08
IP(EA), eV:	-8.48(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R)-2-ethylsulfanyl-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine

Drug info:

PubChemData

Smile

C1CCC2(CC1)[C@@H]3CCCC[C@@H]3OC(=S)N2

DOS

IR

Vibrations