Geometry & MOs

Info

ID:	407362
PubChem CID:	135079940
Reduced:	ClN2S2O6C14H15 (1)
Stoich.:	AB2C2D6E14F15 (1)
Weight, g/mol:	202.110613
ΔH_f, kcal/mol:	-28.3
Dipole, Da:	15.43
IP(EA), eV:	-8.99(-2.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methoxy-1-(2-methylprop-2-enyl)benzimidazole

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N=C(SC1=[NH2+])C2=CC=CC=C2)SC.[O-]Cl(=O)(=O)=O

DOS

IR

Vibrations