Geometry & MOs

Info

ID:	234241
PubChem CID:	92297987
Reduced:	BrClS2N3O4H21C24 (1)
Stoich.:	ABC2D3E4F21G24 (1)
Weight, g/mol:	494.13972
ΔH_f, kcal/mol:	-22.61
Dipole, Da:	10.3
IP(EA), eV:	-8.87(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(Z)-2-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]-1-phenylethenyl] benzoate

Drug info:

PubChemData

Smile

C1[C@@H]2[C@@H]([C@@H]([C@H]1SC3=CC=CC=C3[N+](=O)[O-])Cl)C4=C(C=CC(=C4)S(=O)(=O)N)N[C@H]2C5=CC=C(C=C5)Br

DOS

IR

Vibrations