Geometry & MOs

Info

ID:	123233
PubChem CID:	50838834
Reduced:	SN4O5H22C23 (1)
Stoich.:	AB4C5D22E23 (1)
Weight, g/mol:	457.076613
ΔH_f, kcal/mol:	-84.79
Dipole, Da:	6.89
IP(EA), eV:	-8.0(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[2-[6-(benzenesulfonyl)pyridazin-3-yl]sulfanylacetyl]amino]benzoate

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C(C=NN12)C3=CC(=C(C=C3)OC)S(=O)(=O)NC4=CC5=C(C=C4)OCCO5)C

DOS

IR

Vibrations