Geometry & MOs

Info

ID:	36391
PubChem CID:	8005150
Reduced:	SN3O3H17C21 (1)
Stoich.:	AB3C3D17E21 (1)
Weight, g/mol:	345.054753
ΔH_f, kcal/mol:	10.65
Dipole, Da:	4.31
IP(EA), eV:	-8.7(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenyl-5-thiophen-2-yl-7-(trifluoromethyl)imidazo[4,5-b]pyridine

Drug info:

PubChemData

Smile

CC1=C(C2=C(S1)N=CN(C2=O)NC=C3C=C(C=CC3=O)OC)C4=CC=CC=C4

DOS

IR

Vibrations