Geometry & MOs

Info

ID:

176980

PubChem CID:

76121824

Reduced:

P2N5C10O12H15 (1)

Stoich.:

A2B5C10D12E15 (1)

Weight, g/mol:

675.309055

ΔHf, kcal/mol:

-560.66

Dipole, Da:

4.24

IP(EA), eV:

 -9.72(-1.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[4-oxo-2-(2-phenylethyl)-7-[(pyridin-2-ylamino)methyl]-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoline-3-carbonyl]amino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid

Drug info:

PubChemData

Smile

C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(N(C2=O)OP(=O)(O)OP(=O)(O)O)N

DOS

IR

Vibrations