Geometry & MOs

Info

ID:	240595
PubChem CID:	93616664
Reduced:	OSN2C14H20 (1)
Stoich.:	ABC2D14E20 (1)
Weight, g/mol:	317.173942
ΔH_f, kcal/mol:	-40.05
Dipole, Da:	5.93
IP(EA), eV:	-8.06(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,5S)-3,5-dimethyl-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CCCN(C1)C(=O)NC2=CC=C(C=C2)SC

DOS

IR

Vibrations