Geometry & MOs

Info

ID:	237689
PubChem CID:	92720769
Reduced:	SO2N3H21C25 (1)
Stoich.:	AB2C3D21E25 (1)
Weight, g/mol:	421.205322
ΔH_f, kcal/mol:	71.7
Dipole, Da:	2.91
IP(EA), eV:	-8.48(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R)-1-(4-fluorophenyl)-1-(2-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol

Drug info:

PubChemData

Smile

C1CS[C@H](C2=C(NN(C2=N1)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC6=C(C=C5)OCO6

DOS

IR

Vibrations