Geometry & MOs

Info

ID:

336273

PubChem CID:

127255280

Reduced:

BrSN2O3H21C31 (1)

Stoich.:

ABC2D3E21F31 (1)

Weight, g/mol:

394.140783

ΔHf, kcal/mol:

88.29

Dipole, Da:

4.46

IP(EA), eV:

 -8.54(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-(1-hydroxy-3,4,5-trimethylimidazol-3-ium-2-yl)propanoic acid;chloride

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3N2[C@H]([C@H]([C@@]34C5=CC=CC=C5NC4=O)C(=O)C6=CC=CS6)C(=O)C7=CC=C(C=C7)Br

DOS

IR

Vibrations