Geometry & MOs

Info

ID:	431480
PubChem CID:	135171561
Reduced:	ClSO2N4C18H19 (1)
Stoich.:	ABC2D4E18F19 (1)
Weight, g/mol:	664.215078
ΔH_f, kcal/mol:	13.73
Dipole, Da:	4.83
IP(EA), eV:	-8.36(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[9-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)carbazol-3-yl]-9-phenylcarbazole

Drug info:

PubChemData

Smile

CN(C1=CC2=C(N=C1)OCCN=C2/C=C\N)SC3=C(C=CC(=C3)Cl)OC

DOS

IR

Vibrations