Geometry & MOs

Info

ID:	352654
PubChem CID:	127283743
Reduced:	SN3O4C18H31 (1)
Stoich.:	AB3C4D18E31 (1)
Weight, g/mol:	346.146347
ΔH_f, kcal/mol:	-196.93
Dipole, Da:	5.97
IP(EA), eV:	-9.29(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-[(3-oxo-2-propan-2-ylpiperazin-1-yl)methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one

Drug info:

PubChemData

Smile

CC(C)C1C(=O)NCCN1CC(=O)N(C2CCCC2)C3CCS(=O)(=O)C3

DOS

IR

Vibrations