Geometry & MOs

Info

ID:	346225
PubChem CID:	127270716
Reduced:	SN3O3C18H27 (1)
Stoich.:	AB3C3D18E27 (1)
Weight, g/mol:	317.173942
ΔH_f, kcal/mol:	-95.21
Dipole, Da:	6.78
IP(EA), eV:	-8.88(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-oxo-N-(1-propylpiperidin-4-yl)-4H-1,4-benzoxazine-7-carboxamide

Drug info:

PubChemData

Smile

CCCN1CCC(CC1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3CC3

DOS

IR

Vibrations