Geometry & MOs

Info

ID:	225770
PubChem CID:	87225997
Reduced:	OS2N3C23H23 (1)
Stoich.:	AB2C3D23E23 (1)
Weight, g/mol:	432.150821
ΔH_f, kcal/mol:	56.05
Dipole, Da:	2.14
IP(EA), eV:	-8.26(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[7-(diethylamino)-2-oxochromen-4-yl]-methylamino]propanoic acid;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=CC=C1OC2=C(C=CC=N2)NC3=NC4=C(S3)C=CC=C4SC

DOS

IR

Vibrations