Geometry & MOs

Info

ID:	303308
PubChem CID:	124489489
Reduced:	FNCl2O2C12H16 (1)
Stoich.:	ABC2D2E12F16 (1)
Weight, g/mol:	295.054212
ΔH_f, kcal/mol:	-138.62
Dipole, Da:	1.52
IP(EA), eV:	-9.53(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethyl]amino]-3-methoxypropan-2-ol

Drug info:

PubChemData

Smile

C[C@@H](C1=C(C=CC(=C1Cl)F)Cl)NC[C@@H](COC)O

DOS

IR

Vibrations