Geometry & MOs

Info

ID:	240488
PubChem CID:	93580910
Reduced:	ClNSO6C25H26 (1)
Stoich.:	ABCD6E25F26 (1)
Weight, g/mol:	399.204573
ΔH_f, kcal/mol:	-168.17
Dipole, Da:	6.84
IP(EA), eV:	-9.01(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S)-2-hydroxy-3-[(4-methoxyphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]propoxy]benzaldehyde

Drug info:

PubChemData

Smile

C1CS(=O)(=O)C[C@@H]1N(CC2=CC=C(O2)C3=CC(=CC=C3)Cl)C[C@H](COC4=CC=CC=C4C=O)O

DOS

IR

Vibrations