Geometry & MOs

Info

ID:	326741
PubChem CID:	126688116
Reduced:	INH2C4 (2)
Stoich.:	ABC2D4 (2)
Weight, g/mol:	398.95787
ΔH_f, kcal/mol:	110.82
Dipole, Da:	4.36
IP(EA), eV:	-9.89(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC2=C(N=NC=C2C=C1I)I

DOS

IR

Vibrations