Geometry & MOs

Info

ID:	191507
PubChem CID:	78155008
Reduced:	PSO7C38H77 (1)
Stoich.:	ABC7D38E77 (1)
Weight, g/mol:	410.235814
ΔH_f, kcal/mol:	-511.17
Dipole, Da:	5.88
IP(EA), eV:	-8.88(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(4-tert-butylphenyl)ethenyl]-1-(4-propan-2-yloxyphenyl)benzimidazole

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCSCC(COP(=O)(O)OCC(CO)O)OCCCCCCCCC=CCCCCCC

DOS

IR

Vibrations