Geometry & MOs

Info

ID:	127559
PubChem CID:	51006023
Reduced:	O5C24H38 (1)
Stoich.:	A5B24C38 (1)
Weight, g/mol:	363.08735
ΔH_f, kcal/mol:	14.08
Dipole, Da:	4.54
IP(EA), eV:	-9.3(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-chloro-4-methylanilino)-2-oxoethyl] (1S,3R,6R,7S,9S)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate

Drug info:

PubChemData

Smile

C[C@]12CC[C@@H](C(=C)[C@@H]1C[C@H]3C(=O)CC[C@H](C3(C)C)[C@H]4[C@H]2OC(O4)(C)C)OCOC

DOS

IR

Vibrations