Geometry & MOs

Info

ID:	240413
PubChem CID:	93578302
Reduced:	FNSO5C25H28 (1)
Stoich.:	ABCD5E25F28 (1)
Weight, g/mol:	345.194008
ΔH_f, kcal/mol:	-189.87
Dipole, Da:	2.86
IP(EA), eV:	-8.94(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=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