Geometry & MOs

Info

ID:	240487
PubChem CID:	93580909
Reduced:	NSCl2O5C21H23 (1)
Stoich.:	ABC2D5E21F23 (1)
Weight, g/mol:	503.116936
ΔH_f, kcal/mol:	-167.81
Dipole, Da:	5.35
IP(EA), eV:	-9.7(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R)-3-[[5-(3-chlorophenyl)furan-2-yl]methyl-[(3R)-1,1-dioxothiolan-3-yl]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=C3C=O)O

DOS

IR

Vibrations