Geometry & MOs

Info

ID:	351168
PubChem CID:	127279726
Reduced:	SN2O3C17H24 (1)
Stoich.:	AB2C3D17E24 (1)
Weight, g/mol:	394.203862
ΔH_f, kcal/mol:	-129.91
Dipole, Da:	1.88
IP(EA), eV:	-9.42(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclohexylsulfonyl-3-methyl-1-(4-pyridazin-3-ylpiperazin-1-yl)butan-1-one

Drug info:

PubChemData

Smile

C1CCC(C1)CC(=O)NCCNC(=O)C2=CC3=C(S2)CCOC3

DOS

IR

Vibrations