Geometry & MOs

Info

ID:	36639
PubChem CID:	8010226
Reduced:	NCl3O4H14C17 (1)
Stoich.:	AB3C4D14E17 (1)
Weight, g/mol:	358.062343
ΔH_f, kcal/mol:	-123.18
Dipole, Da:	2.66
IP(EA), eV:	-9.22(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxopropyl] (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C=O)OCC(=O)NC2=C(C=C(C=C2Cl)Cl)Cl

DOS

IR

Vibrations