Geometry & MOs

Info

ID:	133389
PubChem CID:	51519573
Reduced:	FN4O4H19C20 (1)
Stoich.:	AB4C4D19E20 (1)
Weight, g/mol:	397.131208
ΔH_f, kcal/mol:	-159.88
Dipole, Da:	4.94
IP(EA), eV:	-8.76(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(2S)-2-[[2-(2-fluoroanilino)-2-oxoethyl]carbamoylamino]-3-(1H-indol-3-yl)propanoate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2)C[C@H](C(=O)O)NC(=O)NCC(=O)NC3=CC=CC=C3F

DOS

IR

Vibrations