Geometry & MOs

Info

ID:	305197
PubChem CID:	124767511
Reduced:	SO3C20H38 (1)
Stoich.:	AB3C20D38 (1)
Weight, g/mol:	466.225643
ΔH_f, kcal/mol:	-198.25
Dipole, Da:	2.99
IP(EA), eV:	-8.25(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[(1S,2R,10R,11R,12S)-10-phenyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-triene-5-carbonyl]amino]benzoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCC[S@](=O)[C@H]1CCCC[C@H]1OC(=O)C

DOS

IR

Vibrations