Geometry & MOs

Info

ID:	33283
PubChem CID:	7885819
Reduced:	SO2N3H21C24 (1)
Stoich.:	AB2C3D21E24 (1)
Weight, g/mol:	345.151098
ΔH_f, kcal/mol:	8.28
Dipole, Da:	3.82
IP(EA), eV:	-8.87(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one

Drug info:

PubChemData

Smile

C1CC2=C(C1)SC3=C2C(=O)N(C=N3)CC(=O)NC(C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations