Geometry & MOs

Info

ID:	440301
PubChem CID:	135230248
Reduced:	SCl2N4H12C18 (1)
Stoich.:	AB2C4D12E18 (1)
Weight, g/mol:	387.066907
ΔH_f, kcal/mol:	114.48
Dipole, Da:	2.58
IP(EA), eV:	-8.75(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-[(4-methoxypyridin-2-yl)methylsulfanyl]-1-(1-methyltetrazol-5-yl)benzimidazole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(N2C3=C(C=NC=C3Cl)Cl)SCC4=CC=CC=N4

DOS

IR

Vibrations