Geometry & MOs

Info

ID:	326708
PubChem CID:	126688061
Reduced:	SN6O6C20H24 (1)
Stoich.:	AB6C6D20E24 (1)
Weight, g/mol:	474.98917
ΔH_f, kcal/mol:	-172.65
Dipole, Da:	2.38
IP(EA), eV:	-8.93(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-iodo-5-phenyl-[1]benzothiolo[3,2-c]carbazole

Drug info:

PubChemData

Smile

CC(C1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N[C@H]4CCC5=CC=CC=C45)O)O)OS(=O)(=O)N

DOS

IR

Vibrations