Geometry & MOs

Info

ID:	150450
PubChem CID:	53790140
Reduced:	PSN2O5C13H17 (1)
Stoich.:	ABC2D5E13F17 (1)
Weight, g/mol:	452.176979
ΔH_f, kcal/mol:	-158.97
Dipole, Da:	10.12
IP(EA), eV:	-9.47(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[5-(2-carboxy-3-thiophen-2-ylprop-1-enyl)-2-hexylimidazol-1-yl]methyl]benzoic acid

Drug info:

PubChemData

Smile

CCOC(=NP(=S)(CC)OC1=CC(=C(C=C1)[N+](=O)[O-])C)C=O

DOS

IR

Vibrations