Geometry & MOs

Info

ID:	61652
PubChem CID:	26711441
Reduced:	N2O5C24H24 (1)
Stoich.:	A2B5C24D24 (1)
Weight, g/mol:	461.14207
ΔH_f, kcal/mol:	-132.09
Dipole, Da:	2.32
IP(EA), eV:	-8.79(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-4-[1-(2-fluorophenyl)sulfonylpiperidine-4-carbonyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)[C@@H]1CN(C2=CC=CC=C2O1)C(=O)COC3=CC4=C(C=C3)OC5=C4CCCC5

DOS

IR

Vibrations