Geometry & MOs

Info

ID:	36997
PubChem CID:	8016027
Reduced:	O3N4C23H24 (1)
Stoich.:	A3B4C23D24 (1)
Weight, g/mol:	419.209658
ΔH_f, kcal/mol:	-52.82
Dipole, Da:	4.44
IP(EA), eV:	-8.09(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-methyl-7-(2-methylprop-2-enoxy)-2-oxochromen-3-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide

Drug info:

PubChemData

Smile

CCNC(=O)N1CCC2=C([C@]13C4=CC=CC=C4N(C3=O)C)NC5=C2C=C(C=C5)OC

DOS

IR

Vibrations