Geometry & MOs

Info

ID:

425972

PubChem CID:

135133921

Reduced:

ClSF2N2O5C23H23 (1)

Stoich.:

ABC2D2E5F23G23 (1)

Weight, g/mol:

1084.482974

ΔHf, kcal/mol:

-283.31

Dipole, Da:

3.64

IP(EA), eV:

 -9.47(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2,5-dioxopyrrolidin-1-yl) 4-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[methyl-[(2S)-2-[(2-pyridin-4-ylacetyl)amino]propanoyl]amino]propanoyl]amino]-4-oxobutanoyl]amino]-4-[[(1R)-1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-(2-hydroxyacetyl)amino]butanoyl]amino]butanoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@H]1CSC2=C(C=C(C(=C2)F)C(=O)OC)N(C1=O)CC3=C(C=C(C=C3)Cl)F

DOS

IR

Vibrations