Geometry & MOs

Info

ID:	313641
PubChem CID:	126616778
Reduced:	SCl2F3N3O3H26C28 (1)
Stoich.:	AB2C3D3E3F26G28 (1)
Weight, g/mol:	623.102403
ΔH_f, kcal/mol:	-211.81
Dipole, Da:	2.5
IP(EA), eV:	-9.1(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-[bis(4-chlorophenyl)methyl]-1-[1-(trifluoromethylsulfonyl)piperidin-4-yl]benzimidazol-2-yl]prop-2-en-1-ol

Drug info:

PubChemData

Smile

CCC1=NC2=C(N1C3CCN(CC3)S(=O)(=O)C(F)(F)F)C=C(C=C2)C(C4=CC=C(C=C4)Cl)(C5=CC=C(C=C5)Cl)O

DOS

IR

Vibrations