Geometry & MOs

Info

ID:	88887
PubChem CID:	49957394
Reduced:	SN4C12H14 (1)
Stoich.:	AB4C12D14 (1)
Weight, g/mol:	299.072848
ΔH_f, kcal/mol:	89.51
Dipole, Da:	4.57
IP(EA), eV:	-8.36(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzylsulfanyl-1-methyl-5-nitrobenzimidazole

Drug info:

PubChemData

Smile

CCCN1C2=CC=CC=C2N3C1=NN=C3SC

DOS

IR

Vibrations