Geometry & MOs

Info

ID:	38259
PubChem CID:	8028513
Reduced:	NO5C23H25 (1)
Stoich.:	AB5C23D25 (1)
Weight, g/mol:	395.173273
ΔH_f, kcal/mol:	-177.0
Dipole, Da:	7.0
IP(EA), eV:	-9.38(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(4-ethyl-7-methyl-2-oxochromen-5-yl)oxy-N-[(2S)-2-hydroxy-2-phenylethyl]propanamide

Drug info:

PubChemData

Smile

CCC1=CC(=O)OC2=C1C(=CC(=C2)C)O[C@H](C)C(=O)NC[C@@H](C3=CC=CC=C3)O

DOS

IR

Vibrations