Geometry & MOs

Info

ID:	303449
PubChem CID:	124489731
Reduced:	N3O5C14H15 (1)
Stoich.:	A3B5C14D15 (1)
Weight, g/mol:	338.130028
ΔH_f, kcal/mol:	-180.97
Dipole, Da:	5.26
IP(EA), eV:	-9.37(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=NC(=C(N2C=C1)C(=O)N[C@H](CC(=O)O)C(=O)O)C

DOS

IR

Vibrations