Geometry & MOs

Info

ID:	445095
PubChem CID:	135264526
Reduced:	FSN4O4C40H43 (1)
Stoich.:	ABC4D4E40F43 (1)
Weight, g/mol:	588.12011
ΔH_f, kcal/mol:	-143.93
Dipole, Da:	2.78
IP(EA), eV:	-9.01(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-bromo-10-(3,5-diphenylphenyl)-3-phenylpyrrolo[3,2-a]carbazole

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)C2=CC(=C(C=C2)C3=CN=C(N=C3)C4=CC=C(C=C4)C[C@@H](C(=O)N[C@H](C)C(O)O)NC(=O)C5=CC=C(S5)C(C)(C)C)F

DOS

IR

Vibrations