Geometry & MOs

Info

ID:	127911
PubChem CID:	51022761
Reduced:	NO5C17H21 (1)
Stoich.:	AB5C17D21 (1)
Weight, g/mol:	425.238621
ΔH_f, kcal/mol:	-188.94
Dipole, Da:	4.49
IP(EA), eV:	-8.29(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,6R,7R,10S)-8-[tert-butyl(dimethyl)silyl]oxy-4-phenyl-10-propan-2-yl-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)NC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)OC

DOS

IR

Vibrations