Geometry & MOs

Info

ID:	155243
PubChem CID:	56323427
Reduced:	S2N4O4C13H18 (1)
Stoich.:	A2B4C4D13E18 (1)
Weight, g/mol:	450.165168
ΔH_f, kcal/mol:	-110.65
Dipole, Da:	14.19
IP(EA), eV:	-9.06(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-(5-nitropyridin-2-yl)piperazine-1-carbonyl]-2-(2-phenoxyethyl)pyridazin-3-one

Drug info:

PubChemData

Smile

CC1=NC(=CN1C)S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)N(C)C

DOS

IR

Vibrations