Geometry & MOs

Info

ID:	244708
PubChem CID:	99381005
Reduced:	N3O3S3C16H19 (1)
Stoich.:	A3B3C3D16E19 (1)
Weight, g/mol:	406.146347
ΔH_f, kcal/mol:	-49.29
Dipole, Da:	5.67
IP(EA), eV:	-8.65(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-4-(thiomorpholin-4-ylmethyl)benzamide

Drug info:

PubChemData

Smile

CCNS(=O)(=O)C1=CC=C(C=C1)/C=C/C(=O)NC2=NC(=C(S2)SC)C

DOS

IR

Vibrations