Geometry & MOs

Info

ID:	88871
PubChem CID:	49957345
Reduced:	OSN4C19H20 (1)
Stoich.:	ABC4D19E20 (1)
Weight, g/mol:	369.137179
ΔH_f, kcal/mol:	73.26
Dipole, Da:	6.81
IP(EA), eV:	-8.54(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-2-(1,8,10,11,13,14-hexazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,8,12,14-hexaen-12-ylsulfanyl)acetamide

Drug info:

PubChemData

Smile

CCCN1C2=CC=CC=C2N3C1=NN=C3SCCOC4=CC=CC=C4

DOS

IR

Vibrations