Geometry & MOs

Info

ID:	440280
PubChem CID:	135230227
Reduced:	ClOSN8H17C19 (1)
Stoich.:	ABCD8E17F19 (1)
Weight, g/mol:	372.067241
ΔH_f, kcal/mol:	146.28
Dipole, Da:	4.69
IP(EA), eV:	-9.03(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]sulfanylmethyl]pyridin-2-amine

Drug info:

PubChemData

Smile

CN1C(=NN=N1)N2C3=C(C(=CC=C3)Cl)N=C2SCC4=NC(=CC=C4)NC(=O)C5CC5

DOS

IR

Vibrations