Geometry & MOs

Info

ID:	38250
PubChem CID:	8028482
Reduced:	ClNO5H18C20 (1)
Stoich.:	ABC5D18E20 (1)
Weight, g/mol:	387.08735
ΔH_f, kcal/mol:	-175.52
Dipole, Da:	2.56
IP(EA), eV:	-9.41(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-chloro-7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-[(2S)-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