Geometry & MOs

Info

ID:	68130
PubChem CID:	46507805
Reduced:	OSN4C11H14 (1)
Stoich.:	ABC4D11E14 (1)
Weight, g/mol:	423.147744
ΔH_f, kcal/mol:	3.56
Dipole, Da:	3.31
IP(EA), eV:	-8.51(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[11-(azepan-1-yl)-5-oxo-12-thia-3,4,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,10-tetraen-4-yl]-N-phenylacetamide

Drug info:

PubChemData

Smile

C1CCCN(CC1)C2=NC3=C(S2)N=CNC3=O

DOS

IR

Vibrations