Geometry & MOs

Info

ID:	375589
PubChem CID:	134214036
Reduced:	ClO2N3F4H18C20 (1)
Stoich.:	AB2C3D4E18F20 (1)
Weight, g/mol:	462.128167
ΔH_f, kcal/mol:	-245.03
Dipole, Da:	9.68
IP(EA), eV:	-9.52(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[5-chloro-6-[4-[hydroxy-[4-(trifluoromethoxy)anilino]methyl]piperazin-1-yl]pyridin-3-yl]ethane-1,2-diol

Drug info:

PubChemData

Smile

C1CN(CC=C1C2=C(C=C(C=N2)CCO)Cl)C(=O)NC3=CC(=C(C=C3)C(F)(F)F)F

DOS

IR

Vibrations