Geometry & MOs

Info

ID:	405861
PubChem CID:	135075739
Reduced:	NSO2C13H27 (1)
Stoich.:	ABC2D13E27 (1)
Weight, g/mol:	231.125929
ΔH_f, kcal/mol:	-129.08
Dipole, Da:	3.06
IP(EA), eV:	-8.39(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S)-3-benzyl-6-methyl-2,3-dihydro-1,4-oxazin-4-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)[C@@]1(CCCC[C@@H]1N[S@](=O)C(C)(C)C)O

DOS

IR

Vibrations