Geometry & MOs

Info

ID:

147358

PubChem CID:

53787014

Reduced:

F2S3O5N6H14C17 (1)

Stoich.:

A2B3C5D6E14F17 (1)

Weight, g/mol:

499.279469

ΔHf, kcal/mol:

-133.16

Dipole, Da:

10.66

IP(EA), eV:

 -9.45(-1.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,4S)-1-[2-[2-aminoethyl(butyl)amino]-2-oxoethyl]-4-(1,3-benzodioxol-5-yl)-2-[2-(1-methylimidazol-2-yl)ethyl]pyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1C(=C(N2[C@@H](S1)C(C2=O)NC(=O)C(=NOC(F)F)C3=CSC(=N3)N)C(=O)O)CSC=CC#N

DOS

IR

Vibrations