Geometry & MOs

Info

ID:

170958

PubChem CID:

75307011

Reduced:

BP5N10O17C22H32 (1)

Stoich.:

AB5C10D17E22F32 (1)

Weight, g/mol:

787.325099

ΔHf, kcal/mol:

-857.09

Dipole, Da:

4.83

IP(EA), eV:

 -9.08(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

18-tert-butyl-N-[1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-23,23-dimethyl-17,20-dioxo-12,21,25-trioxa-10,16,19-triazapentacyclo[24.3.1.113,16.02,11.04,9]hentriaconta-1(30),2,4,6,8,10,26,28-octaene-15-carboxamide

Drug info:

PubChemData

Smile

[B-]P(=O)(OP(=O)(CP(=O)(O)OCC1C(CC(O1)N2C=NC3=C(N=CN=C32)N)O)O)OP(=O)(CP(=O)(O)OCC4C(CC(O4)N5C=NC6=C(N=CN=C65)N)O)O

DOS

IR

Vibrations