Geometry & MOs

Info

ID:

322791

PubChem CID:

126671131

Reduced:

O3N7C39H45 (1)

Stoich.:

A3B7C39D45 (1)

Weight, g/mol:

430.088965

ΔHf, kcal/mol:

47.35

Dipole, Da:

6.7

IP(EA), eV:

 -8.89(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[[3-(ethylcarbamoyl)-5-nitropyrazol-1-yl]methyl]-2,6-dimethoxyphenyl] dihydrogen phosphate

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=NC(C)(C#CC#CC2=CN=C(N2)[C@@H]3CCCN3)C(=C)C4=CC=CC(=C4)C5=CC=CC=C5)N)NC(=O)OC

DOS

IR

Vibrations