Geometry & MOs

Info

ID:	189104
PubChem CID:	77818908
Reduced:	SO2N7C18H25 (1)
Stoich.:	AB2C7D18E25 (1)
Weight, g/mol:	443.257277
ΔH_f, kcal/mol:	24.27
Dipole, Da:	1.51
IP(EA), eV:	-8.83(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyclohexa-1,3-dien-1-yl-3-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methyl]-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

CS(=O)(=O)NCCNC1=NC=CC(=N1)CC=NN(CC2=CC=CC=C2)C(=C)N

DOS

IR

Vibrations