Geometry & MOs

Info

ID:

326935

PubChem CID:

126688721

Reduced:

SCl2F3N3O5H10C11 (1)

Stoich.:

AB2C3D3E5F10G11 (1)

Weight, g/mol:

954.525513

ΔHf, kcal/mol:

-318.32

Dipole, Da:

3.32

IP(EA), eV:

-9.52(-1.71)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

[4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[4-[4-(imidazole-1-carbonylamino)butanoyloxy]-2,6,6-trimethyl-3-oxocyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethyl-2-oxocyclohex-3-en-1-yl] 4-(imidazole-1-carbonylamino)butanoate

Drug info:

PubChemData

Smile

C1C(C2C(O1)C(CO2)OS(=O)(=O)C(F)(F)F)NC3=NC(=NC=C3Cl)Cl

DOS

IR

Vibrations