Geometry & MOs

Info

ID:

325753

PubChem CID:

126684777

Reduced:

NF3O6C28H30 (1)

Stoich.:

AB3C6D28E30 (1)

Weight, g/mol:

509.202522

ΔHf, kcal/mol:

-355.92

Dipole, Da:

3.18

IP(EA), eV:

 -9.18(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)CCC(F)(F)F)C=C=C(C)/C(=C\2/C(=O)C=C(OC2=O)C(C)CC/C=C/NC(=O)OC)/O

DOS

IR

Vibrations