Geometry & MOs

Info

ID:	401477
PubChem CID:	135051376
Reduced:	ClS2H11C16 (1)
Stoich.:	AB2C11D16 (1)
Weight, g/mol:	329.105193
ΔH_f, kcal/mol:	68.01
Dipole, Da:	1.65
IP(EA), eV:	-8.32(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,4S)-1,4,6-triphenyl-2,3,7-trioxa-5-azabicyclo[2.2.1]hept-5-ene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=C\2/C=C(SS2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations