Geometry & MOs

Info

ID:	311321
PubChem CID:	126590453
Reduced:	FSO3N5C30H30 (1)
Stoich.:	ABC3D5E30F30 (1)
Weight, g/mol:	222.046299
ΔH_f, kcal/mol:	-42.18
Dipole, Da:	10.21
IP(EA), eV:	-8.46(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-imidazol-1-yl-3-thiophen-2-ylpropanoic acid

Drug info:

PubChemData

Smile

CCN(C)C=NC(=C)C1=CC2=NC=CC(=C2S1)OC3=C(C=C(C=C3)NC(=O)CC(=O)N(CC)C4=CC=CC=C4)F

DOS

IR

Vibrations