Geometry & MOs

Info

ID:	386533
PubChem CID:	134982063
Reduced:	SH10C14 (2)
Stoich.:	AB10C14 (2)
Weight, g/mol:	392.073294
ΔH_f, kcal/mol:	168.14
Dipole, Da:	3.36
IP(EA), eV:	-8.39(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8E,10E)-9-chloro-10-[methoxy(phenyl)phosphoryl]tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,8,10,12,14-octaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S/C/2=C\3/C(=C/4\C(=C(/C=C2)\SC5=CC=CC=C5)\C=CC=C4)/C=CC=C3

DOS

IR

Vibrations