Geometry & MOs

Info

ID:	38251
PubChem CID:	8028483
Reduced:	ClNO5H18C20 (1)
Stoich.:	ABC5D18E20 (1)
Weight, g/mol:	409.188923
ΔH_f, kcal/mol:	-177.03
Dipole, Da:	1.46
IP(EA), eV:	-9.29(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-butyl-7-methyl-2-oxochromen-5-yl)oxy-N-[(2R)-2-hydroxy-2-phenylethyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)O)CC(=O)NC[C@H](C3=CC=CC=C3)O

DOS

IR

Vibrations