Geometry & MOs

Info

ID:	185565
PubChem CID:	77314508
Reduced:	ON2C10H12 (2)
Stoich.:	AB2C10D12 (2)
Weight, g/mol:	502.167477
ΔH_f, kcal/mol:	-3.18
Dipole, Da:	3.35
IP(EA), eV:	-8.86(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-butoxy-4-[2-(5-oxo-1,2,4-thiadiazolidin-3-yl)phenyl]phenyl]-2-methylbenzimidazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C1CC2CCN2CC(C1)NC(=O)C3=NNC4=C3C=C(C=C4)C5COC=C5

DOS

IR

Vibrations