Geometry & MOs

Info

ID:	392338
PubChem CID:	135014568
Reduced:	OYN2H11C13 (1)
Stoich.:	ABC2D11E13 (1)
Weight, g/mol:	313.150036
ΔH_f, kcal/mol:	144.68
Dipole, Da:	23.74
IP(EA), eV:	-4.87(-3.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-7,10,10-trimethyl-4-(1-phenylsulfanylethenyl)-3-oxa-5-azatricyclo[5.2.1.02,6]dec-4-ene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)NNC2=CC=[C-]C=C2.[Y]

DOS

IR

Vibrations