Geometry & MOs

Info

ID:	444616
PubChem CID:	135263028
Reduced:	FO2N6H23C24 (1)
Stoich.:	AB2C6D23E24 (1)
Weight, g/mol:	492.171893
ΔH_f, kcal/mol:	9.23
Dipole, Da:	1.76
IP(EA), eV:	-8.59(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,4-dimethylphenyl)-(5-methylfuran-2-yl)methyl]-2-[3-(2-methylsulfonylacetyl)-1H-indol-5-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CNC2=NC=CC(=C12)OC3=C(C=C(C=C3)C(C(C=O)N)N4CCC5=NC=NC=C5C4)F

DOS

IR

Vibrations