Geometry & MOs

Info

ID:	313603
PubChem CID:	126616281
Reduced:	Cl2O2N3H31C35 (1)
Stoich.:	A2B2C3D31E35 (1)
Weight, g/mol:	637.118053
ΔH_f, kcal/mol:	31.13
Dipole, Da:	3.22
IP(EA), eV:	-9.02(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[bis(4-chlorophenyl)methyl]-2-(oxolan-2-yl)-1-[1-(trifluoromethylsulfonyl)piperidin-4-yl]benzimidazole

Drug info:

PubChemData

Smile

C1CC1C2=NC3=C(N2C4CCN(CC4)C(=O)OC5=CC=CC=C5)C=C(C=C3)C(C6=CC=C(C=C6)Cl)C7=CC=C(C=C7)Cl

DOS

IR

Vibrations