Geometry & MOs

Info

ID:	352270
PubChem CID:	127283354
Reduced:	SN4O4C16H18 (1)
Stoich.:	AB4C4D16E18 (1)
Weight, g/mol:	367.16444
ΔH_f, kcal/mol:	-99.58
Dipole, Da:	8.33
IP(EA), eV:	-9.07(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=CC=C(C1=O)C(=O)N2CCN(CC2)S(=O)(=O)C3=CN=CC=C3

DOS

IR

Vibrations