Geometry & MOs

Info

ID:	127895
PubChem CID:	51021668
Reduced:	IO3C12H17 (1)
Stoich.:	AB3C12D17 (1)
Weight, g/mol:	332.083078
ΔH_f, kcal/mol:	-129.03
Dipole, Da:	4.37
IP(EA), eV:	-9.57(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (1R,9R,16S)-9-methyl-14-oxo-8-oxa-12-thia-10,15-diazatetracyclo[7.6.1.02,7.011,15]hexadeca-2,4,6,10-tetraene-16-carboxylate

Drug info:

PubChemData

Smile

CC(C)[C@]12[C@H]3[C@@H]4C[C@H]([C@H]3[C@@H](O1)O)[C@@H]([C@@H]4O2)I

DOS

IR

Vibrations