Geometry & MOs

Info

ID:	38255
PubChem CID:	8028499
Reduced:	O4N5H17C20 (1)
Stoich.:	A4B5C17D20 (1)
Weight, g/mol:	319.141973
ΔH_f, kcal/mol:	-21.37
Dipole, Da:	11.9
IP(EA), eV:	-8.74(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-hydroxypropyl)propanamide

Drug info:

PubChemData

Smile

C1COC2=C(O1)C=CC(=C2)NC(=O)[C@H]3CC(=O)N=C4N3NC(=N4)C5=CC=CC=C5

DOS

IR

Vibrations