Geometry & MOs

Info

ID:	324859
PubChem CID:	126678493
Reduced:	NOC5H9 (3)
Stoich.:	ABC5D9 (3)
Weight, g/mol:	560.312247
ΔH_f, kcal/mol:	-100.1
Dipole, Da:	3.95
IP(EA), eV:	-9.1(0.61)
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]pyrrolidin-1-yl]-2-oxoethyl]carbamate

Drug info:

PubChemData

Smile

C/C=C\C(=C)OCCN(C(C)NO)C(=O)N1CCCCC1

DOS

IR

Vibrations