Geometry & MOs

Info

ID:	309134
PubChem CID:	126538244
Reduced:	SO3H18C23 (1)
Stoich.:	AB3C18D23 (1)
Weight, g/mol:	518.18167
ΔH_f, kcal/mol:	-11.0
Dipole, Da:	4.07
IP(EA), eV:	-8.29(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-dibenzothiophen-2-yl-14-[(2E,4Z)-hexa-2,4-dien-3-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

Drug info:

PubChemData

Smile

C=CC(=O)OC1(C2=CC=CC=C2S(=O)C3=CC=CC=C31)CC4=CC=CC=C4

DOS

IR

Vibrations