Geometry & MOs

Info

ID:	353044
PubChem CID:	127284194
Reduced:	SN2O4C17H22 (1)
Stoich.:	AB2C4D17E22 (1)
Weight, g/mol:	395.151492
ΔH_f, kcal/mol:	-170.77
Dipole, Da:	2.98
IP(EA), eV:	-9.57(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-3-oxo-N-(1-propylsulfonylpiperidin-4-yl)-4H-1,4-benzoxazine-8-carboxamide

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2C1C(=O)NCCC(=O)NC3CCS(=O)(=O)C3

DOS

IR

Vibrations