Geometry & MOs

Info

ID:	366060
PubChem CID:	127319383
Reduced:	N3O3S3C13H17 (1)
Stoich.:	A3B3C3D13E17 (1)
Weight, g/mol:	342.162666
ΔH_f, kcal/mol:	-59.55
Dipole, Da:	7.56
IP(EA), eV:	-9.24(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(1-cyclohexyltetrazol-5-yl)sulfanylethyl]-1-methylbenzimidazole

Drug info:

PubChemData

Smile

CC1=C(SC=N1)CCSC2=NN=C(O2)CC3CCS(=O)(=O)C3

DOS

IR

Vibrations