Geometry & MOs

Info

ID:	43791
PubChem CID:	10321797
Reduced:	NSO3H25C28 (1)
Stoich.:	ABC3D25E28 (1)
Weight, g/mol:	455.244701
ΔH_f, kcal/mol:	-47.2
Dipole, Da:	3.16
IP(EA), eV:	-8.6(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[6-(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)hexyl]-5-methylpyrimidine-2,4-dione

Drug info:

PubChemData

Smile

C1[C@@H](N(C(=O)O1)C(=O)[C@@H]2CSC(=C[C@H]2C3=CC=CC=C3)C4=CC=CC=C4)CC5=CC=CC=C5

DOS

IR

Vibrations