Geometry & MOs

Info

ID:	240475
PubChem CID:	93580649
Reduced:	ClNSO5C21H24 (1)
Stoich.:	ABCD5E21F24 (1)
Weight, g/mol:	481.05586
ΔH_f, kcal/mol:	-159.06
Dipole, Da:	8.3
IP(EA), eV:	-9.28(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CS(=O)(=O)C[C@@H]1N(CC2=CC=CC=C2Cl)C[C@H](COC3=CC=CC(=C3)C=O)O

DOS

IR

Vibrations