Geometry & MOs

Info

ID:	85385
PubChem CID:	49874656
Reduced:	SN3O5C20H21 (1)
Stoich.:	AB3C5D20E21 (1)
Weight, g/mol:	212.059065
ΔH_f, kcal/mol:	-100.24
Dipole, Da:	10.12
IP(EA), eV:	-8.63(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

5-amino-1,3-dimethylbenzimidazol-2-one;chloride

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)/C=C\2/C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)N)C)OC

DOS

IR

Vibrations