Geometry & MOs

Info

ID:	240477
PubChem CID:	93580701
Reduced:	NSO4C20H21 (1)
Stoich.:	ABC4D20E21 (1)
Weight, g/mol:	471.067399
ΔH_f, kcal/mol:	-64.0
Dipole, Da:	3.81
IP(EA), eV:	-9.26(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2S)-3-[(2,4-dichlorophenyl)methyl-[(3R)-1,1-dioxothiolan-3-yl]amino]-2-hydroxypropoxy]benzaldehyde

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)OC[C@H](CN(CC2=CC=CO2)CC3=CC=CS3)O)C=O

DOS

IR

Vibrations