Geometry & MOs

Info

ID:	340863
PubChem CID:	127263298
Reduced:	ClF3N3C9H11 (1)
Stoich.:	AB3C3D9E11 (1)
Weight, g/mol:	357.201219
ΔH_f, kcal/mol:	-162.76
Dipole, Da:	3.28
IP(EA), eV:	-9.53(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R)-3-[[(2R)-1-[4-(diaminomethylideneamino)butylamino]-4-methyl-1-oxopentan-2-yl]carbamoyl]oxirane-2-carboxylic acid

Drug info:

PubChemData

Smile

C1CNC2=C(CN1)C=CC(=N2)C(F)(F)F.Cl

DOS

IR

Vibrations