Geometry & MOs

Info

ID:	313640
PubChem CID:	126616777
Reduced:	Cl2O2N3H27C28 (1)
Stoich.:	A2B2C3D27E28 (1)
Weight, g/mol:	611.102403
ΔH_f, kcal/mol:	-27.47
Dipole, Da:	1.22
IP(EA), eV:	-9.11(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis(4-chlorophenyl)-[2-ethyl-3-[1-(trifluoromethylsulfonyl)piperidin-4-yl]benzimidazol-5-yl]methanol

Drug info:

PubChemData

Smile

C1CNCCC1N2C3=C(C=CC(=C3)C(C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl)N=C2CCC(=O)O

DOS

IR

Vibrations