Geometry & MOs

Info

ID:	240476
PubChem CID:	93580683
Reduced:	BrNSO5C21H24 (1)
Stoich.:	ABCD5E21F24 (1)
Weight, g/mol:	371.119129
ΔH_f, kcal/mol:	-148.07
Dipole, Da:	5.94
IP(EA), eV:	-9.43(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2S)-3-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-2-hydroxypropoxy]benzaldehyde

Drug info:

PubChemData

Smile

C1CS(=O)(=O)C[C@@H]1N(CC2=CC(=CC=C2)Br)C[C@H](COC3=CC=CC(=C3)C=O)O

DOS

IR

Vibrations