Geometry & MOs

Info

ID:	437623
PubChem CID:	135226730
Reduced:	NC11H19 (1)
Stoich.:	AB11C19 (1)
Weight, g/mol:	571.316998
ΔH_f, kcal/mol:	-11.9
Dipole, Da:	1.41
IP(EA), eV:	-8.6(1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3S)-3-[[(2S)-1-amino-3-[2-fluoro-4-[1-(oxetan-3-yl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]phenyl]-1-oxopropan-2-yl]carbamoyl]-2-azabicyclo[2.2.1]heptane-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CCCC2C1CN(CC2)C

DOS

IR

Vibrations