Geometry & MOs

Info

ID:	240480
PubChem CID:	93580793
Reduced:	ClNSO5C21H24 (1)
Stoich.:	ABCD5E21F24 (1)
Weight, g/mol:	399.123736
ΔH_f, kcal/mol:	-164.28
Dipole, Da:	5.52
IP(EA), eV:	-9.38(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S)-3-[(4-chlorophenyl)methyl-(furan-2-ylmethyl)amino]-2-hydroxypropoxy]benzaldehyde

Drug info:

PubChemData

Smile

C1CS(=O)(=O)C[C@@H]1N(CC2=CC=C(C=C2)Cl)C[C@@H](COC3=CC=CC=C3C=O)O

DOS

IR

Vibrations