Geometry & MOs

Info

ID:	225892
PubChem CID:	87235940
Reduced:	SO5N6C24H24 (1)
Stoich.:	AB5C6D24E24 (1)
Weight, g/mol:	372.233683
ΔH_f, kcal/mol:	-76.52
Dipole, Da:	6.25
IP(EA), eV:	-8.81(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5S)-4,4-bis[2-(fluoroamino)-4-methylpentanoyl]-5-methylpyrrolidine-2-carbonitrile

Drug info:

PubChemData

Smile

C1CC1CNN2C3=CC=CC=C3C(=O)/C(=C/4\NC5=C(C=C(C=C5)OCC6=NCCN6)S(=O)(=O)N4)/C2=O

DOS

IR

Vibrations