Geometry & MOs

Info

ID:	54318
PubChem CID:	16994817
Reduced:	SO2N3C25H27 (1)
Stoich.:	AB2C3D25E27 (1)
Weight, g/mol:	414.230728
ΔH_f, kcal/mol:	-3.36
Dipole, Da:	5.06
IP(EA), eV:	-8.58(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-tert-butylphenoxy)propyl]-2-(phenoxymethyl)benzimidazole

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CN2C3=CC=CC=C3N=C2CCCCCNC(=O)C4=CC=CS4

DOS

IR

Vibrations