Geometry & MOs

Info

ID:	165885
PubChem CID:	74609262
Reduced:	SN5O5C20H23 (1)
Stoich.:	AB5C5D20E23 (1)
Weight, g/mol:	479.103018
ΔH_f, kcal/mol:	-118.14
Dipole, Da:	8.98
IP(EA), eV:	-9.34(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-1-cyclopropyl-2,4-dioxo-1,3-diazinane-5-carbonitrile

Drug info:

PubChemData

Smile

C1CC1N2CC(C(=O)N(C2=O)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)C#N

DOS

IR

Vibrations