Geometry & MOs

Info

ID:	440451
PubChem CID:	135230428
Reduced:	ClOSN8H17C19 (1)
Stoich.:	ABCD8E17F19 (1)
Weight, g/mol:	401.00583
ΔH_f, kcal/mol:	142.78
Dipole, Da:	11.56
IP(EA), eV:	-9.33(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-bromopyridin-2-yl)methylsulfanyl]-1-(1-methyltetrazol-5-yl)benzimidazole

Drug info:

PubChemData

Smile

CN1C(=NN=N1)N2C3=C(C=CC=C3Cl)N=C2SCC4=NC(=CC=C4)NC(=O)C5CC5

DOS

IR

Vibrations