Geometry & MOs

Info

ID:

81806

PubChem CID:

49855186

Reduced:

ClSO3N5C20H22 (1)

Stoich.:

ABC3D5E20F22 (1)

Weight, g/mol:

496.232185

ΔHf, kcal/mol:

-52.21

Dipole, Da:

5.69

IP(EA), eV:

 -8.5(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-2-[[(2S)-3-phenyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC2=NC=C(C(=N2)NC3=C(C=C(C=C3)OC)NS(=O)(=O)C)Cl)C

DOS

IR

Vibrations