Geometry & MOs

Info

ID:	176133
PubChem CID:	76000264
Reduced:	SO2N5C21H31 (1)
Stoich.:	AB2C5D21E31 (1)
Weight, g/mol:	432.230745
ΔH_f, kcal/mol:	-34.22
Dipole, Da:	7.98
IP(EA), eV:	-8.62(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(12-methyl-9-oxo-5-thia-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,11-trien-10-yl)-N-[3-(4-propylpiperazin-1-yl)propyl]acetamide

Drug info:

PubChemData

Smile

CC1=NN(C(=O)C2N1C3=C(C2)SC=C3)CC(=O)NCCCN(C)C4CCCCC4

DOS

IR

Vibrations