Geometry & MOs

Info

ID:	440267
PubChem CID:	135230198
Reduced:	BrClS2N4O4C31H38 (1)
Stoich.:	ABC2D4E4F31G38 (1)
Weight, g/mol:	425.163394
ΔH_f, kcal/mol:	-108.43
Dipole, Da:	3.45
IP(EA), eV:	-8.65(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methylsulfanyl]-1-(1-methyltetrazol-5-yl)benzimidazole

Drug info:

PubChemData

Smile

C1CCC(C1)N(CC2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N(CC4CCNCC4)CC5=C(C=CC(=C5)N)Br

DOS

IR

Vibrations