Geometry & MOs

Info

ID:	131915
PubChem CID:	51278881
Reduced:	ClN2S2O3H13C17 (1)
Stoich.:	AB2C2D3E13F17 (1)
Weight, g/mol:	365.077848
ΔH_f, kcal/mol:	-41.34
Dipole, Da:	1.22
IP(EA), eV:	-8.46(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CSC=C2)C(=O)NC3=CC4=C(C=C3Cl)OCCO4

DOS

IR

Vibrations