Geometry & MOs

Info

ID:

49303

PubChem CID:

11532748

Reduced:

N2O5C27H30 (1)

Stoich.:

A2B5C27D30 (1)

Weight, g/mol:

462.247835

ΔHf, kcal/mol:

-165.27

Dipole, Da:

2.54

IP(EA), eV:

 -8.79(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-hydroxyethyl 3-[4-(5-methoxy-2-methyl-3-oxo-4,5-dihydropyridazin-4-yl)phenyl]-2-[[methyl(2-methylpropyl)carbamoyl]amino]propanoate

Drug info:

PubChemData

Smile

C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C#CC3=CC=C(C=C3)C45CC6CC(C4)CC(C6)C5)CO)O

DOS

IR

Vibrations