Geometry & MOs

Info

ID:

338210

PubChem CID:

127258902

Reduced:

FNCl2C8H10 (1)

Stoich.:

ABC2D8E10 (1)

Weight, g/mol:

615.334024

ΔHf, kcal/mol:

-80.74

Dipole, Da:

4.77

IP(EA), eV:

-10.13(-0.9)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

acetic acid;(2S)-1-(2-aminoacetyl)-N-[(2S)-1-[(2S)-2-[[(2S)-1-amino-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C1=C(C(=CC=C1)F)Cl)N.Cl

DOS

IR

Vibrations