Geometry & MOs

Info

ID:	310723
PubChem CID:	126584585
Reduced:	OCl2N2C19H22 (1)
Stoich.:	AB2C2D19E22 (1)
Weight, g/mol:	734.21001
ΔH_f, kcal/mol:	-34.91
Dipole, Da:	2.95
IP(EA), eV:	-9.09(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4,8,9,13,14-pentakis-phenyl-3,5,8,10,13,15-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaen-3-yl)benzenesulfonic acid

Drug info:

PubChemData

Smile

C[C@@H]1[C@H]2CC(C2(C)C)C[C@H]1NC(=O)C3=CC4=C(N3)C=C(C=C4Cl)Cl

DOS

IR

Vibrations