Geometry & MOs

Info

ID:

80431

PubChem CID:

49834421

Reduced:

SF2O2N6H18C20 (1)

Stoich.:

AB2C2D6E18F20 (1)

Weight, g/mol:

750.525513

ΔHf, kcal/mol:

-42.49

Dipole, Da:

5.53

IP(EA), eV:

 -9.14(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[(2S)-1-[(2S)-2-[[(2S)-3-methyl-2-[[2-[[(2S)-3-methyl-2-(2-oxoheptadecylamino)butanoyl]amino]acetyl]amino]butanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]acetic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=C(N=C(O2)C)C(=O)NC3=NN(N=C3)CC4=NC(=CS4)C(C)(F)F

DOS

IR

Vibrations