Geometry & MOs

Info

ID:	443395
PubChem CID:	135258844
Reduced:	ClSO3N7H26C27 (1)
Stoich.:	ABC3D7E26F27 (1)
Weight, g/mol:	536.246378
ΔH_f, kcal/mol:	-23.86
Dipole, Da:	9.72
IP(EA), eV:	-8.66(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-phenyl-5-[3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]indolo[2,3-b]carbazole

Drug info:

PubChemData

Smile

C1CCC2(CC1)NC(=O)C3=C(C=C(C(=O)N23)NC4=C5C6=C(C[C@H](CC6)C(=O)N7CC(C7)C#N)SC5=NC=N4)Cl

DOS

IR

Vibrations