Geometry & MOs

Info

ID:

170462

PubChem CID:

75236525

Reduced:

SCl2P3N5C12O12H18 (1)

Stoich.:

AB2C3D5E12F12G18 (1)

Weight, g/mol:

581.270562

ΔHf, kcal/mol:

-613.81

Dipole, Da:

7.2

IP(EA), eV:

 -8.81(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-7-[2-(tert-butylcarbamoylamino)-2-cyclohexylacetyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxamide

Drug info:

PubChemData

Smile

CSC1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O)O)N

DOS

IR

Vibrations