Geometry & MOs

Info

ID:	240468
PubChem CID:	93580423
Reduced:	NSCl2O3C20H21 (1)
Stoich.:	ABC2D3E20F21 (1)
Weight, g/mol:	439.050877
ΔH_f, kcal/mol:	-64.98
Dipole, Da:	1.12
IP(EA), eV:	-8.9(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[(3-chlorophenyl)methyl-(furan-2-ylmethyl)amino]-3-(2,4-dichlorophenoxy)propan-2-ol

Drug info:

PubChemData

Smile

CC1=C(SC=C1)CN(CC2=CC=CO2)C[C@H](COC3=C(C=C(C=C3)Cl)Cl)O

DOS

IR

Vibrations