Geometry & MOs

Info

ID:	240393
PubChem CID:	93578154
Reduced:	FNSO5C25H28 (1)
Stoich.:	ABCD5E25F28 (1)
Weight, g/mol:	345.194008
ΔH_f, kcal/mol:	-190.27
Dipole, Da:	7.14
IP(EA), eV:	-8.76(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-3-(4-methylphenoxy)propan-2-ol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OC[C@@H](CN(CC2=CC=C(O2)C3=CC=C(C=C3)F)[C@@H]4CCS(=O)(=O)C4)O

DOS

IR

Vibrations