Geometry & MOs

Info

ID:	307950
PubChem CID:	125310889
Reduced:	ON5C23H25 (1)
Stoich.:	AB5C23D25 (1)
Weight, g/mol:	436.127051
ΔH_f, kcal/mol:	75.41
Dipole, Da:	6.51
IP(EA), eV:	-8.82(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-3-(5-hydroxy-2H-indol-3-yl)-2-[[(2R)-2-(2-oxochromen-7-yl)oxypropanoyl]amino]propanoic acid

Drug info:

PubChemData

Smile

C[C@@H](CC1=C2C=CC=CC2=NC1)C(=O)N3CCC[C@@H](C3)C4=NN=C5N4C=CC=C5

DOS

IR

Vibrations