Geometry & MOs

Info

ID:	38257
PubChem CID:	8028507
Reduced:	FN3O3H16C18 (1)
Stoich.:	AB3C3D16E18 (1)
Weight, g/mol:	381.157623
ΔH_f, kcal/mol:	-131.03
Dipole, Da:	3.37
IP(EA), eV:	-8.99(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[(2S)-2-hydroxy-2-phenylethyl]propanamide

Drug info:

PubChemData

Smile

CC[C@H](C(=O)NC1=CC=CC=C1F)N2C(=O)C3=CC=CC=C3NC2=O

DOS

IR

Vibrations