Geometry & MOs

Info

ID:	240444
PubChem CID:	93579542
Reduced:	FNSO5C22H28 (1)
Stoich.:	ABCD5E22F28 (1)
Weight, g/mol:	369.174022
ΔH_f, kcal/mol:	-217.32
Dipole, Da:	9.98
IP(EA), eV:	-8.75(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(4-fluorophenoxy)-3-[furan-2-ylmethyl-[(4-methylphenyl)methyl]amino]propan-2-ol

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CN(C[C@@H](COC2=CC=C(C=C2)F)O)[C@@H]3CCS(=O)(=O)C3

DOS

IR

Vibrations