Geometry & MOs

Info

ID:	37212
PubChem CID:	8018276
Reduced:	ClN2O3H15C18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	406.076947
ΔH_f, kcal/mol:	-67.63
Dipole, Da:	1.19
IP(EA), eV:	-9.14(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3R)-1,1-dioxothiolan-3-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)Cl)NC(=O)COC(=O)C2=CC=C(C=C2)C#N)C

DOS

IR

Vibrations