Geometry & MOs

Info

ID:	33296
PubChem CID:	7885869
Reduced:	SO2N3C23H25 (1)
Stoich.:	AB2C3D23E25 (1)
Weight, g/mol:	289.088498
ΔH_f, kcal/mol:	-34.64
Dipole, Da:	3.59
IP(EA), eV:	-8.7(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC2=C(C1)SC3=C2C(=O)N(C=N3)CC(=O)N4CCC(CC4)CC5=CC=CC=C5

DOS

IR

Vibrations