Geometry & MOs

Info

ID:	406882
PubChem CID:	135078826
Reduced:	OS2C23H28 (1)
Stoich.:	AB2C23D28 (1)
Weight, g/mol:	326.199428
ΔH_f, kcal/mol:	-6.32
Dipole, Da:	3.78
IP(EA), eV:	-8.46(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10,10-dimethyl-2-[(E)-1-phenylbutan-2-ylideneamino]-4-oxa-2-azatricyclo[5.2.1.01,5]decan-3-one

Drug info:

PubChemData

Smile

C1CC[C@@H]([C@](CC1)(CSC2=CC=CC=C2)O)C/C=C/SC3=CC=CC=C3

DOS

IR

Vibrations