Geometry & MOs

Info

ID:

214937

PubChem CID:

85083888

Reduced:

SN4O6C35H42 (1)

Stoich.:

AB4C6D35E42 (1)

Weight, g/mol:

646.394165

ΔHf, kcal/mol:

-211.12

Dipole, Da:

7.59

IP(EA), eV:

 -8.22(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-(2,2-dimethylpropanoyloxymethyl)-2-ethyl-4-(3-methylimidazol-4-yl)butanoyl]oxyethyl 3-(2,2-dimethylpropanoyloxymethyl)-2-ethyl-4-(3-methylimidazol-4-yl)butanoate

Drug info:

PubChemData

Smile

CCSC(C)C1=C(C(=CC2=C(C(=C(N2)CC3=C(C(=C(N3)C=C4C(=C(C(=O)N4)C)C=C)C)CCC(=O)O)CCC(=O)O)C)NC1=O)C

DOS

IR

Vibrations