Geometry & MOs

Info

ID:

133388

PubChem CID:

51519464

Reduced:

FN3O4H19C20 (1)

Stoich.:

AB3C4D19E20 (1)

Weight, g/mol:

398.139033

ΔHf, kcal/mol:

-122.24

Dipole, Da:

6.2

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.112175

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[[2-(2-fluoroanilino)-2-oxoethyl]carbamoylamino]-3-(1H-indol-3-yl)propanoic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2)C[C@H](C(=O)[O-])NC(=O)NCCOC3=CC=CC=C3F

DOS

IR

Vibrations