Geometry & MOs

Info

ID:	33335
PubChem CID:	7885998
Reduced:	SO2N3C15H19 (1)
Stoich.:	AB2C3D15E19 (1)
Weight, g/mol:	319.135448
ΔH_f, kcal/mol:	-63.57
Dipole, Da:	3.5
IP(EA), eV:	-8.83(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-11-yl)-N-pentan-3-ylacetamide

Drug info:

PubChemData

Smile

CC(C)CNC(=O)CN1C=NC2=C(C1=O)C3=C(S2)CCC3

DOS

IR

Vibrations