Geometry & MOs

Info

ID:

80337

PubChem CID:

49834084

Reduced:

SO2F3N6H13C18 (1)

Stoich.:

AB2C3D6E13F18 (1)

Weight, g/mol:

644.353363

ΔHf, kcal/mol:

-69.64

Dipole, Da:

5.36

IP(EA), eV:

 -9.34(-1.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

CC(C1=CSC(=N1)CN2N=CC(=N2)NC(=O)C3=C(OC=N3)C4=CC=C(C=C4)F)(F)F

DOS

IR

Vibrations