Geometry & MOs

Info

ID:	38213
PubChem CID:	8028062
Reduced:	ClN2O5C19H24 (1)
Stoich.:	AB2C5D19E24 (1)
Weight, g/mol:	381.157623
ΔH_f, kcal/mol:	-172.82
Dipole, Da:	18.87
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.121649
Charge, e:	0

Chem-info

IUPAC name:

2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxy-N-[(2R)-2-hydroxy-2-phenylethyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OC)CC(=O)NCC[NH+]3CCOCC3

DOS

IR

Vibrations