Geometry & MOs

Info

ID:	324845
PubChem CID:	126678466
Reduced:	NO2C10H13 (1)
Stoich.:	AB2C10D13 (1)
Weight, g/mol:	505.281281
ΔH_f, kcal/mol:	-54.41
Dipole, Da:	1.07
IP(EA), eV:	-8.4(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(3S)-6-(diaminomethylideneamino)-1-fluoro-2-oxohexan-3-yl]-1-[(2S)-3-methyl-2-(phenylcarbamoylamino)butanoyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

COCC1=CC2=C(C=C1)OCCN2

DOS

IR

Vibrations