Geometry & MOs

Info

ID:	24478
PubChem CID:	610517
Reduced:	SN3O4C12H13 (1)
Stoich.:	AB3C4D12E13 (1)
Weight, g/mol:	295.062677
ΔH_f, kcal/mol:	-46.17
Dipole, Da:	5.42
IP(EA), eV:	-9.36(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(2-hydroxyethyl)-5-nitrobenzimidazol-2-yl]sulfanylpropan-2-one

Drug info:

PubChemData

Smile

CC(=O)CSC1=NC2=C(N1CCO)C=CC(=C2)[N+](=O)[O-]

DOS

IR

Vibrations