Geometry & MOs

Info

ID:	128061
PubChem CID:	51029242
Reduced:	SC12H14 (1)
Stoich.:	AB12C14 (1)
Weight, g/mol:	420.108814
ΔH_f, kcal/mol:	89.71
Dipole, Da:	3.13
IP(EA), eV:	-8.44(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]acetate

Drug info:

PubChemData

Smile

C#C[C@H]1CC[C@H]2[C@H](CC[C@H]1S2)C#C

DOS

IR

Vibrations