Geometry & MOs

Info

ID:	303450
PubChem CID:	124489732
Reduced:	SN2O4C16H22 (1)
Stoich.:	AB2C4D16E22 (1)
Weight, g/mol:	338.130028
ΔH_f, kcal/mol:	-157.43
Dipole, Da:	4.9
IP(EA), eV:	-9.3(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-methyl-4H-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CN(C1)S(=O)(=O)C2=CC3=C(C=C2)O[C@H](C(=O)N3)C)C

DOS

IR

Vibrations