Geometry & MOs

Info

ID:	240554
PubChem CID:	93581396
Reduced:	NS2O6C20H25 (1)
Stoich.:	AB2C6D20E25 (1)
Weight, g/mol:	395.173273
ΔH_f, kcal/mol:	-181.33
Dipole, Da:	7.99
IP(EA), eV:	-8.85(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2R)-3-[benzyl(furan-2-ylmethyl)amino]-2-hydroxypropoxy]-3-methoxybenzaldehyde

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C=O)OC[C@@H](CN(CC2=CC=CS2)[C@@H]3CCS(=O)(=O)C3)O

DOS

IR

Vibrations