Geometry & MOs

Info

ID:	243307
PubChem CID:	99218271
Reduced:	SN3O5C21H27 (1)
Stoich.:	AB3C5D21E27 (1)
Weight, g/mol:	440.151826
ΔH_f, kcal/mol:	-186.14
Dipole, Da:	5.01
IP(EA), eV:	-9.18(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-N-[2-(tert-butylsulfamoyl)phenyl]-6-oxopyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)NS(=O)(=O)C1=CC=CC=C1NC(=O)CCNC(=O)C2=CC=CC=C2OC

DOS

IR

Vibrations