Geometry & MOs

Info

ID:	366680
PubChem CID:	127320209
Reduced:	OSN8C17H20 (1)
Stoich.:	ABC8D17E20 (1)
Weight, g/mol:	370.157581
ΔH_f, kcal/mol:	87.3
Dipole, Da:	7.62
IP(EA), eV:	-8.98(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-[[4-(1H-imidazol-2-ylmethyl)piperazin-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

CN1C(=O)C2=C(C=CS2)N3C1=NN=C3CN4CCN(CC4)CC5=NC=CN5

DOS

IR

Vibrations