Geometry & MOs

Info

ID:	150451
PubChem CID:	53790141
Reduced:	SN2O4C25H28 (1)
Stoich.:	AB2C4D25E28 (1)
Weight, g/mol:	424.145678
ΔH_f, kcal/mol:	-104.31
Dipole, Da:	5.69
IP(EA), eV:	-9.39(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-butyl-5-(1-carboxy-1-thiophen-2-ylprop-1-en-2-yl)imidazol-1-yl]methyl]benzoic acid

Drug info:

PubChemData

Smile

CCCCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)C=C(CC3=CC=CS3)C(=O)O

DOS

IR

Vibrations