Geometry & MOs

Info

ID:	240548
PubChem CID:	93581357
Reduced:	FNSO5C22H26 (1)
Stoich.:	ABCD5E22F26 (1)
Weight, g/mol:	413.220223
ΔH_f, kcal/mol:	-214.7
Dipole, Da:	3.56
IP(EA), eV:	-9.46(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(2S)-2-hydroxy-3-[(4-methoxyphenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]propoxy]phenyl]ethanone

Drug info:

PubChemData

Smile

CC(=O)C1=CC=CC=C1OC[C@H](CN(CC2=CC=CC=C2F)[C@@H]3CCS(=O)(=O)C3)O

DOS

IR

Vibrations