Geometry & MOs

Info

ID:	240467
PubChem CID:	93580421
Reduced:	Cl2N2O3C23H30 (1)
Stoich.:	A2B2C3D23E30 (1)
Weight, g/mol:	425.06192
ΔH_f, kcal/mol:	-104.97
Dipole, Da:	1.73
IP(EA), eV:	-8.1(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)CN(C[C@H]2CCCO2)C[C@@H](COC3=C(C=C(C=C3)Cl)Cl)O

DOS

IR

Vibrations