Geometry & MOs

Info

ID:

215213

PubChem CID:

85084374

Reduced:

N5O9C41H53 (1)

Stoich.:

A5B9C41D53 (1)

Weight, g/mol:

760.340988

ΔHf, kcal/mol:

-324.66

Dipole, Da:

7.56

IP(EA), eV:

 -9.08(-1.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[12-(5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)-2-(3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl)oxydodecyl] 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate

Drug info:

PubChemData

Smile

CC1=NC(=O)C2=CC(C=CC2=N1)CN(CC#C)C3=CC=C(C=C3)C(=O)NC(CCC(=O)NC(CC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

DOS

IR

Vibrations