Geometry & MOs

Info

ID:	122448
PubChem CID:	50807213
Reduced:	SO2N4H14C21 (1)
Stoich.:	AB2C4D14E21 (1)
Weight, g/mol:	398.060425
ΔH_f, kcal/mol:	29.09
Dipole, Da:	2.8
IP(EA), eV:	-8.56(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-chlorophenyl)ethyl]-2-(6-oxo-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-5-yl)acetamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2NC(=O)CN3C=NC4=C(C3=O)SC5=C4C=CC=N5

DOS

IR

Vibrations