Geometry & MOs

Info

ID:	324889
PubChem CID:	126678547
Reduced:	NO3C16H19 (1)
Stoich.:	AB3C16D19 (1)
Weight, g/mol:	568.280946
ΔH_f, kcal/mol:	-50.54
Dipole, Da:	0.57
IP(EA), eV:	-9.09(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(2S)-1-[(2S)-2-[[(3S)-6-(diaminomethylideneamino)-1-fluoro-2-oxohexan-3-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CN(C)C12CC(CC1C3C2O3)OC(=O)C4=CC=CC=C4

DOS

IR

Vibrations