Geometry & MOs

Info

ID:

215723

PubChem CID:

85085150

Reduced:

N4O8C33H51 (2)

Stoich.:

A4B8C33D51 (2)

Weight, g/mol:

1270.600296

ΔHf, kcal/mol:

-721.03

Dipole, Da:

8.23

IP(EA), eV:

 -8.57(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-[5-[5-[13-(2-methyl-5-oxo-2H-furan-4-yl)-1-(3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl)oxytridecyl]oxolan-2-yl]oxolan-2-yl]-1-(3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl)oxyundecan-5-yl] 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate

Drug info:

PubChemData

Smile

CCC(C)C(C)C(CC(=O)OC(C(C)C)C(=O)C(C)C(=O)NC(CCCCNC(=O)OCC1=CC=CC=C1)C(=O)N2CCCC2CN(C)C(CC3=CC=C(C=C3)OC)C(=O)OC(C)C(C(=O)N)NC(=O)C(CC(C)C)N(C)C(=O)C4CCCN4C(=O)C(C)O)O

DOS

IR

Vibrations