Geometry & MOs

Info

ID:	240478
PubChem CID:	93580757
Reduced:	NSCl2O5C21H23 (1)
Stoich.:	ABC2D5E21F23 (1)
Weight, g/mol:	369.194008
ΔH_f, kcal/mol:	-168.13
Dipole, Da:	5.2
IP(EA), eV:	-9.35(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2S)-3-[benzyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-hydroxypropoxy]benzaldehyde

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations