Geometry & MOs

Info

ID:	299634
PubChem CID:	117688232
Reduced:	ON3F4H9C13 (1)
Stoich.:	AB3C4D9E13 (1)
Weight, g/mol:	585.279863
ΔH_f, kcal/mol:	-155.77
Dipole, Da:	8.48
IP(EA), eV:	-9.71(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylpentanoylamino)-3-[[2-[1-phenylmethoxycarbonyloxy-5-[(pyridin-2-ylamino)methyl]pyrrolidin-3-yl]oxyacetyl]amino]propanoic acid

Drug info:

PubChemData

Smile

C1CC(=O)N=C2C1=C(NN2C(F)(F)F)C3=CC(=CC=C3)F

DOS

IR

Vibrations