Geometry & MOs

Info

ID:

193319

PubChem CID:

78375626

Reduced:

SN3O4H10C11 (1)

Stoich.:

AB3C4D10E11 (1)

Weight, g/mol:

220.108602

ΔHf, kcal/mol:

-63.38

Dipole, Da:

5.91

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.781887

Charge, e:

 1

Chem-info

IUPAC name:

2-azaniumyl-4-(1H-benzimidazol-1-ium-2-yl)butanoate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CSC2C(=O)NC(=O)NN2)C(=O)[O-]

DOS

IR

Vibrations