Geometry & MOs

Info

ID:	237029
PubChem CID:	92716947
Reduced:	ClSN2O6C23H27 (1)
Stoich.:	ABC2D6E23F27 (1)
Weight, g/mol:	339.219829
ΔH_f, kcal/mol:	-215.47
Dipole, Da:	5.46
IP(EA), eV:	-8.95(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R)-3-(4-methylphenyl)-1-morpholin-4-yl-2-phenylpentan-3-ol

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1OC)NC(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3

DOS

IR

Vibrations