Geometry & MOs

Info

ID:	55648
PubChem CID:	17395736
Reduced:	OSN4H12C14 (1)
Stoich.:	ABC4D12E14 (1)
Weight, g/mol:	323.107005
ΔH_f, kcal/mol:	46.45
Dipole, Da:	3.33
IP(EA), eV:	-8.83(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-acetylphenyl)-3-(4-fluorophenyl)imidazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)C3=NC=CN=C3)C

DOS

IR

Vibrations