Geometry & MOs

Info

ID:	167126
PubChem CID:	74784010
Reduced:	SO2N5C20H23 (1)
Stoich.:	AB2C5D20E23 (1)
Weight, g/mol:	442.10574
ΔH_f, kcal/mol:	9.83
Dipole, Da:	5.4
IP(EA), eV:	-8.97(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-[[2-[3-(4-chlorophenyl)-2-methyl-4-oxochromen-7-yl]oxyacetyl]amino]-3-methylbutanoate

Drug info:

PubChemData

Smile

CC(C)CC(=O)NC1=CC(=NN1C2=NC(=O)C3CCCCC3=N2)C4=CC=CS4

DOS

IR

Vibrations