Geometry & MOs

Info

ID:	46955
PubChem CID:	10528641
Reduced:	ClNO4C26H52 (1)
Stoich.:	ABC4D26E52 (1)
Weight, g/mol:	477.056835
ΔH_f, kcal/mol:	-286.49
Dipole, Da:	9.07
IP(EA), eV:	-8.63(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,4R)-2-(2,4-dichlorophenyl)-2-[3-(1,3-thiazol-2-yl)propyl]-1,3-dioxolan-4-yl]methyl benzoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCOC(=O)C[C@H](C[N+](C)(C)C)OC(=O)CCCCCC.[Cl-]

DOS

IR

Vibrations