Geometry & MOs

Info

ID:	324857
PubChem CID:	126678482
Reduced:	N2O5C19H24 (1)
Stoich.:	A2B5C19D24 (1)
Weight, g/mol:	574.327897
ΔH_f, kcal/mol:	-210.03
Dipole, Da:	8.28
IP(EA), eV:	-9.7(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(1S)-1-cyclohexyl-2-[(2S)-2-[[(3S)-6-(diaminomethylideneamino)-1-fluoro-2-oxohexan-3-yl]carbamoyl]piperidin-1-yl]-2-oxoethyl]carbamate

Drug info:

PubChemData

Smile

C1CCC(C1)(C(=O)N2CCC[C@H]2C(=O)O)NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations