Geometry & MOs

Info

ID:	329267
PubChem CID:	126733515
Reduced:	ClFO2N6H12C14 (1)
Stoich.:	ABC2D6E12F14 (1)
Weight, g/mol:	486.03751
ΔH_f, kcal/mol:	-21.58
Dipole, Da:	8.48
IP(EA), eV:	-9.25(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[1-(6-cyano-1H-benzimidazol-2-yl)ethyl]-5-ethyl-7-methylindol-1-yl] thiohypoiodite

Drug info:

PubChemData

Smile

COC(=O)CCNC1=NC(=NC=C1F)C2=C3C=C(C=NC3=NN2)Cl

DOS

IR

Vibrations