Geometry & MOs

Info

ID:

219283

PubChem CID:

85098448

Reduced:

SF3N5O9C30H38 (1)

Stoich.:

AB3C5D9E30F38 (1)

Weight, g/mol:

702.374339

ΔHf, kcal/mol:

-508.62

Dipole, Da:

5.32

IP(EA), eV:

 -9.14(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[7-(5-but-2-en-2-yl-4,11-dimethyl-3,10-dioxatetracyclo[5.5.0.02,4.09,11]dodecan-6-yl)-2,4-dimethyl-3-(3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl)oxyhepta-4,6-dienyl] 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CC2(CCN(CC2)C(=O)C(COCC3=CC=CC=C3)NC(=O)C(CO)NC(=O)CN)C4=CC=CC=C41.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations