Geometry & MOs

Info

ID:

441125

PubChem CID:

135233227

Reduced:

NSF3O6C27H34 (1)

Stoich.:

ABC3D6E27F34 (1)

Weight, g/mol:

545.169508

ΔHf, kcal/mol:

-425.9

Dipole, Da:

5.02

IP(EA), eV:

 -9.14(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[(E)-5-[5-[2,2-dimethyl-5-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]pentanoyl]-4-hydroxy-6-oxopyran-2-yl]pent-1-enyl]carbamate

Drug info:

PubChemData

Smile

C[C@@H](CC1=CC=C(S1)CCCCCC(F)(F)F)C(=O)C2=C(C=C(OC2=O)C(C)CC/C=C/NC(=O)OC)O

DOS

IR

Vibrations