Geometry & MOs

Info

ID:

230067

PubChem CID:

87570008

Reduced:

PS2Cl3F6N6O6H14C21 (1)

Stoich.:

AB2C3D6E6F6G14H21 (1)

Weight, g/mol:

1054.630097

ΔHf, kcal/mol:

-489.44

Dipole, Da:

2.59

IP(EA), eV:

 -9.43(-1.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15,15-dimethyl-10,10-bis[4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyloxymethyl]-11-octadec-9-enyl-2,7,14-trioxo-1,8-dioxa-3,13-diazacyclopentadecane-11,12-dicarboxylic acid

Drug info:

PubChemData

Smile

COP(=O)(OC)SCN1C2=C(C=C(C=N2)Cl)OC1=O.C1=C(C=C(C(=C1Cl)N2C(=C(C(=N2)C#N)S(=O)C(F)(F)F)N)Cl)C(F)(F)F

DOS

IR

Vibrations