Geometry & MOs

Info

ID:	121355
PubChem CID:	50764679
Reduced:	FSN3O5C22H24 (1)
Stoich.:	ABC3D5E22F24 (1)
Weight, g/mol:	461.14207
ΔH_f, kcal/mol:	-219.33
Dipole, Da:	1.72
IP(EA), eV:	-9.29(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2,6-dimethyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-N-(4-fluorophenyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1C(=O)NC2=C(O1)C=C(C(=C2)C)S(=O)(=O)N3CCCC(C3)C(=O)NC4=CC(=CC=C4)F

DOS

IR

Vibrations