Geometry & MOs

Info

ID:	161905
PubChem CID:	57393021
Reduced:	BrSO2N4H15C17 (1)
Stoich.:	ABC2D4E15F17 (1)
Weight, g/mol:	349.102668
ΔH_f, kcal/mol:	56.52
Dipole, Da:	8.84
IP(EA), eV:	-8.68(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4-difluorophenyl)-2-(2-pyridin-2-ylbenzimidazol-1-yl)ethanone

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)Br)C2=NN=C3N2NC(S3)C4=CC=CC=C4OC

DOS

IR

Vibrations