Geometry & MOs

Info

ID:	449390
PubChem CID:	135298231
Reduced:	SN3O3C28H35 (1)
Stoich.:	AB3C3D28E35 (1)
Weight, g/mol:	356.08881
ΔH_f, kcal/mol:	-73.14
Dipole, Da:	4.43
IP(EA), eV:	-9.15(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-[(4-methylphenyl)methyl]-1-(2-methylpropyl)benzimidazole

Drug info:

PubChemData

Smile

CCS(=O)(=O)C1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)N(C(=N3)CC4CCC(CC4)C)C5CC5

DOS

IR

Vibrations