Geometry & MOs

Info

ID:	441458
PubChem CID:	135234942
Reduced:	F2Cl4C31H34 (1)
Stoich.:	A2B4C31D34 (1)
Weight, g/mol:	344.040168
ΔH_f, kcal/mol:	-109.77
Dipole, Da:	4.18
IP(EA), eV:	-9.31(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-hydroxy-6-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-1,3-dihydrobenzimidazole-2-thione

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1CC(C)(C)C2=C(C=CC=C2Cl)Cl)Cl)C(C)(C)CC3=CC(=C(C(=C3)F)C(C)(C)C)F)Cl

DOS

IR

Vibrations