Geometry & MOs

Info

ID:	33552
PubChem CID:	7886951
Reduced:	SN3O3C15H19 (1)
Stoich.:	AB3C3D15E19 (1)
Weight, g/mol:	387.087533
ΔH_f, kcal/mol:	-50.94
Dipole, Da:	4.4
IP(EA), eV:	-8.46(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-fluorophenyl)methyl]-N-methyl-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)acetamide

Drug info:

PubChemData

Smile

CC(C)N1C=NN=C1SCC(=O)C2=C(C=CC(=C2)OC)OC

DOS

IR

Vibrations