Geometry & MOs

Info

ID:

191164

PubChem CID:

78113700

Reduced:

P2N10O13C20H28 (1)

Stoich.:

A2B10C13D20E28 (1)

Weight, g/mol:

300.12224

ΔHf, kcal/mol:

-545.2

Dipole, Da:

6.73

IP(EA), eV:

 -9.11(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(4,11,13-trimethyl-6-oxo-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-2,4,8,10,12-pentaen-5-yl)propanoic acid

Drug info:

PubChemData

Smile

C1C2C(C(C(O2)N3C=NC4C3NC(NC4=O)N)OP(=O)(OCC5C(C(C(O5)N6C=NC7=C(N=CN=C76)N)O)OP(=O)(O1)O)O)O

DOS

IR

Vibrations