Geometry & MOs

Info

ID:	133041
PubChem CID:	51467384
Reduced:	N3O5H20C26 (1)
Stoich.:	A3B5C20D26 (1)
Weight, g/mol:	463.039842
ΔH_f, kcal/mol:	-8.2
Dipole, Da:	18.08
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.836821
Charge, e:	-1

Chem-info

IUPAC name:

(3,4-dichlorophenyl)sulfonyl-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]azanide

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)[C@H]2C3=C(C(=O)N2C4=CC=C(C=C4)C(=O)[O-])NN=C3C5=CC=CC=C5)O

DOS

IR

Vibrations