Geometry & MOs

Info

ID:

219486

PubChem CID:

85148749

Reduced:

NS2O6C26H29 (1)

Stoich.:

AB2C6D26E29 (1)

Weight, g/mol:

515.372307

ΔHf, kcal/mol:

-197.23

Dipole, Da:

7.9

IP(EA), eV:

 -9.45(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[3,3-dimethyl-2-[[3-methyl-2-(methylamino)-3-(3-propan-2-ylphenyl)butanoyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid

Drug info:

PubChemData

Smile

CC1CC(C2(C1CC(O2)(CS(=O)(=O)C3=CC=CC=C3)C4=CN(C=C4)S(=O)(=O)C5=CC=CC=C5)O)C

DOS

IR

Vibrations