Geometry & MOs

Info

ID:	439297
PubChem CID:	135229065
Reduced:	ON2C8H11 (2)
Stoich.:	AB2C8D11 (2)
Weight, g/mol:	449.138483
ΔH_f, kcal/mol:	-33.13
Dipole, Da:	1.41
IP(EA), eV:	-9.09(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(trifluoromethyl)phenyl]sulfanyl-N-[(3,4,6-trimethyl-5-phenylmethoxypyridin-2-yl)amino]hydroxylamine

Drug info:

PubChemData

Smile

CCC[C@@H](CO)NC1=NC(=NC=C1OCC2=CN=CC=C2)C

DOS

IR

Vibrations