Geometry & MOs

Info

ID:	43694
PubChem CID:	10321657
Reduced:	OSCl2N2H18C24 (1)
Stoich.:	ABC2D2E18F24 (1)
Weight, g/mol:	453.130026
ΔH_f, kcal/mol:	32.0
Dipole, Da:	3.7
IP(EA), eV:	-8.6(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-hydroxy-3-[3-[1-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazol-2-yl]phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1C(=O)N(C(S1)C2=CC(=C(C=C2)Cl)Cl)C3=C(NC4=CC=CC=C43)C5=CC=CC=C5

DOS

IR

Vibrations