Geometry & MOs

Info

ID:

431560

PubChem CID:

135171648

Reduced:

SCl2O2N3H4F5C11 (1)

Stoich.:

AB2C2D3E4F5G11 (1)

Weight, g/mol:

603.21271

ΔHf, kcal/mol:

-270.13

Dipole, Da:

1.35

IP(EA), eV:

 -9.85(-2.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[4-(2-ethoxycarbonylphenyl)-N-(2-methylpropyl)-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]anilino]-2-azaspiro[3.3]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1Cl)NC(=O)C2=C(N=NS2)C(F)F)Cl)OC(F)(F)F

DOS

IR

Vibrations