Geometry & MOs

Info

ID:

219106

PubChem CID:

85090532

Reduced:

SO5C34H36 (1)

Stoich.:

AB5C34D36 (1)

Weight, g/mol:

557.328728

ΔHf, kcal/mol:

-125.76

Dipole, Da:

6.14

IP(EA), eV:

 -9.13(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 4-[[2-[[3-(1-benzothiophen-2-yl)-3-methyl-2-(methylamino)butanoyl]amino]-3,3-dimethylbutanoyl]-methylamino]-2,5-dimethylhex-2-enoate

Drug info:

PubChemData

Smile

CC12CC(C3=C4CCC(=O)C=C4CCC3C1CCC2(C#CC5=CC=C(C=C5)S(=O)(=O)C)O)C6=CC(=CC=C6)OC

DOS

IR

Vibrations