Geometry & MOs

Info

ID:	50762
PubChem CID:	12013350
Reduced:	N2F5H9C11 (1)
Stoich.:	A2B5C9D11 (1)
Weight, g/mol:	307.84415
ΔH_f, kcal/mol:	-220.66
Dipole, Da:	5.42
IP(EA), eV:	-9.24(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6-dibromo-1,3-dihydrobenzimidazole-2-thione

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)N=C(N2)C(C(F)(F)F)(F)F

DOS

IR

Vibrations