Geometry & MOs

Info

ID:	430784
PubChem CID:	135170851
Reduced:	ClSN4O5C20H23 (1)
Stoich.:	ABC4D5E20F23 (1)
Weight, g/mol:	317.93413
ΔH_f, kcal/mol:	-139.38
Dipole, Da:	1.4
IP(EA), eV:	-8.64(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(trichloromethyl)-6-(trifluoromethoxy)-1H-benzimidazole

Drug info:

PubChemData

Smile

CN(C1=CC2=C(N=C1)OCCN(C2)C(=O)OC3CCOC3)SC4=C(N=CC(=C4)Cl)OC

DOS

IR

Vibrations