Geometry & MOs

Info

ID:	150640
PubChem CID:	53790333
Reduced:	FSN3O5C27H32 (1)
Stoich.:	ABC3D5E27F32 (1)
Weight, g/mol:	520.227454
ΔH_f, kcal/mol:	-189.43
Dipole, Da:	7.67
IP(EA), eV:	-8.52(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-[4-(4-fluorophenyl)-1-(3-phenylpropyl)-5-pyridin-4-ylimidazol-2-yl]pent-4-ynyl]pyrrole-2,5-diol

Drug info:

PubChemData

Smile

C[C@@H]1CN([C@H](CN1C(=O)COC2=C3C=C(C=CC3=CC(=C2)S(=O)(=O)O)N(C)C)C)CC4=CC=C(C=C4)F

DOS

IR

Vibrations