Geometry & MOs

Info

ID:	240463
PubChem CID:	93580380
Reduced:	SCl2N2O4C24H32 (1)
Stoich.:	AB2C2D4E24F32 (1)
Weight, g/mol:	405.089849
ΔH_f, kcal/mol:	-156.97
Dipole, Da:	10.32
IP(EA), eV:	-8.32(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[benzyl(furan-2-ylmethyl)amino]-3-(2,4-dichlorophenoxy)propan-2-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations