Geometry & MOs

Info

ID:	375593
PubChem CID:	134214047
Reduced:	ClF3N3O3C20H21 (1)
Stoich.:	AB3C3D3E20F21 (1)
Weight, g/mol:	477.083381
ΔH_f, kcal/mol:	-248.02
Dipole, Da:	8.16
IP(EA), eV:	-8.9(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[5-chloro-6-[1-[[3-chloro-4-(trifluoromethyl)anilino]-hydroxymethyl]-3,6-dihydro-2H-pyridin-4-yl]pyridin-3-yl]ethane-1,2-diol

Drug info:

PubChemData

Smile

C1CN(CC=C1C2=C(C=C(C=N2)[C@H](CO)O)Cl)C(NC3=CC=C(C=C3)C(F)(F)F)O

DOS

IR

Vibrations