Geometry & MOs

Info

ID:	84127
PubChem CID:	49864330
Reduced:	ClON3H20C23 (1)
Stoich.:	ABC3D20E23 (1)
Weight, g/mol:	419.185649
ΔH_f, kcal/mol:	38.94
Dipole, Da:	6.48
IP(EA), eV:	-8.54(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-[[(2S)-4-[2-(5-fluoro-1H-indol-3-yl)ethylamino]-4-oxo-2-propan-2-ylbutanoyl]amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)Cl)CCC(=O)NC4=CN=CC=C4

DOS

IR

Vibrations