Geometry & MOs

Info

ID:	167615
PubChem CID:	74847917
Reduced:	N5O5C28H39 (1)
Stoich.:	A5B5C28D39 (1)
Weight, g/mol:	594.194666
ΔH_f, kcal/mol:	-141.53
Dipole, Da:	4.92
IP(EA), eV:	-8.35(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-6-[[4-(2-phenylethyl)piperazin-1-yl]methyl]-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CN(CCC1=CC(=C(C=C1)OC)OC)CC2CC(=O)NC(N2)N3CCN(CC3)C(=O)COC4=CC=CC=C4

DOS

IR

Vibrations