Geometry & MOs

Info

ID:	141164
PubChem CID:	52829261
Reduced:	SN3O4C19H25 (1)
Stoich.:	AB3C4D19E25 (1)
Weight, g/mol:	417.151155
ΔH_f, kcal/mol:	-134.34
Dipole, Da:	6.73
IP(EA), eV:	-9.1(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-nitro-4-(trifluoromethyl)phenyl]-N-[(2R)-oxan-2-yl]oxypiperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CCO[C@H](C1)ONC(=O)CCCCCN2C(=O)C3=CC=CC=C3NC2=S

DOS

IR

Vibrations