Geometry & MOs

Info

ID:	36645
PubChem CID:	8010281
Reduced:	NCl2O4C20H21 (1)
Stoich.:	AB2C4D20E21 (1)
Weight, g/mol:	406.065714
ΔH_f, kcal/mol:	-134.18
Dipole, Da:	2.3
IP(EA), eV:	-8.92(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxopropyl] 3-(4-methylphenyl)sulfonylpropanoate

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C=O)O[C@H](C)C(=O)N[C@H](C)C2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations