Geometry & MOs

Info

ID:	240546
PubChem CID:	93581347
Reduced:	FNSO6C26H28 (1)
Stoich.:	ABCD6E26F28 (1)
Weight, g/mol:	401.200237
ΔH_f, kcal/mol:	-221.68
Dipole, Da:	6.75
IP(EA), eV:	-8.86(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(2S)-3-[(2-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-hydroxypropoxy]phenyl]ethanone

Drug info:

PubChemData

Smile

CC(=O)C1=CC=CC=C1OC[C@H](CN(CC2=CC=C(O2)C3=CC=C(C=C3)F)[C@@H]4CCS(=O)(=O)C4)O

DOS

IR

Vibrations