Geometry & MOs

Info

ID:

309347

PubChem CID:

126545575

Reduced:

N4O4C25H31 (2)

Stoich.:

A4B4C25D31 (2)

Weight, g/mol:

409.104063

ΔHf, kcal/mol:

-242.36

Dipole, Da:

2.37

IP(EA), eV:

 -8.92(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl N-[2-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)oxyethyl]-N-ethoxycarbonylcarbamate

Drug info:

PubChemData

Smile

C[C@H]1CC[C@H](N1C(=O)[C@H]([C@@H]2CCOC3(C2)CC3)NC(=O)OC)C4=NC=C(N4)C5=CC=C(C=C5)C6=CC=C(C=C6)C7=CN=C(N7)[C@@H]8CC[C@@H](N8C(=O)[C@H]([C@H]9CCOC1(C9)CC1)NC(=O)OC)C

DOS

IR

Vibrations