Geometry & MOs

Info

ID:

226220

PubChem CID:

87350173

Reduced:

SCl3N3O5H18C24 (1)

Stoich.:

AB3C3D5E18F24 (1)

Weight, g/mol:

1134.582193

ΔHf, kcal/mol:

-113.42

Dipole, Da:

7.86

IP(EA), eV:

 -9.01(-1.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S)-3-amino-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[(2S)-2-[[(1S)-1-carboxy-2-phenylethyl]carbamoyl]pyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-oxobutanoic acid;2-aminopropanoic acid

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)N(C(=C2C(=O)C(=O)NC3=CC(=NC=C3)Cl)S(=O)(=O)C)CC4=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations