Geometry & MOs

Info

ID:	173372
PubChem CID:	75630203
Reduced:	ClSF3O4N5C21H29 (1)
Stoich.:	ABC3D4E5F21G29 (1)
Weight, g/mol:	482.229598
ΔH_f, kcal/mol:	-259.19
Dipole, Da:	4.82
IP(EA), eV:	-8.52(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[2-[2,2-dimethyl-3-oxo-6-[piperidin-3-yl(propan-2-yl)carbamoyl]-1,4-benzoxazin-4-yl]ethyl]carbamate;hydrochloride

Drug info:

PubChemData

Smile

C1CC2C(CC1S(=O)CCN3CCN(CC3)C(=O)OCC4=CC(=C(C=C4)OC(F)(F)F)Cl)NNN2

DOS

IR

Vibrations