Geometry & MOs

Info

ID:

325752

PubChem CID:

126684776

Reduced:

NSF3O6C24H28 (1)

Stoich.:

ABC3D6E24F28 (1)

Weight, g/mol:

533.202522

ΔHf, kcal/mol:

-397.93

Dipole, Da:

9.53

IP(EA), eV:

 -9.01(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[(E)-5-[(5E)-5-[1-hydroxy-2-methyl-4-[2-methyl-4-(3,3,3-trifluoropropyl)phenyl]buta-2,3-dienylidene]-4,6-dioxopyran-2-yl]hex-1-enyl]carbamate

Drug info:

PubChemData

Smile

CC(CC/C=C/NC(=O)OC)C1=CC(=C(C(=O)O1)C(=O)C(C)CC2=CC=C(S2)CCC(F)(F)F)O

DOS

IR

Vibrations