Geometry & MOs

Info

ID:	84990
PubChem CID:	49871224
Reduced:	OH28C35 (1)
Stoich.:	AB28C35 (1)
Weight, g/mol:	522.228535
ΔH_f, kcal/mol:	91.81
Dipole, Da:	1.55
IP(EA), eV:	-9.05(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-(3-chloro-4-propan-2-yloxyphenyl)ethyl]-6-cyclopentyl-3-[(1-methylbenzimidazol-2-yl)methyl]oxane-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@@H]2C(=C([C@@H](C2(C3=CC=CC=C3)O)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations