Geometry & MOs

Info

ID:	244742
PubChem CID:	99381305
Reduced:	BrOSN4H17C19 (1)
Stoich.:	ABCD4E17F19 (1)
Weight, g/mol:	416.130697
ΔH_f, kcal/mol:	75.38
Dipole, Da:	6.17
IP(EA), eV:	-8.62(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-methyl-2-oxo-1H-imidazol-3-yl)-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]benzamide

Drug info:

PubChemData

Smile

C1CC1C2=C(C(=NN2)C(=O)NC3=CC=CC(=C3)CSC4=CC=CC=N4)Br

DOS

IR

Vibrations