Geometry & MOs

Info

ID:	182455
PubChem CID:	76890974
Reduced:	BrSN2O2H7C13 (1)
Stoich.:	ABC2D2E7F13 (1)
Weight, g/mol:	328.02113
ΔH_f, kcal/mol:	58.73
Dipole, Da:	7.44
IP(EA), eV:	-9.61(-2.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[bromo-(3,5-dimethylphenyl)methylidene]-1H-benzimidazol-2-one

Drug info:

PubChemData

Smile

C1=CSC(=C1)C(C2=CC3=NC(=O)C(=O)N=C3C=C2)Br

DOS

IR

Vibrations