Geometry & MOs

Info

ID:	33353
PubChem CID:	7886042
Reduced:	SO2N3H17C20 (1)
Stoich.:	AB2C3D17E20 (1)
Weight, g/mol:	340.088164
ΔH_f, kcal/mol:	-5.55
Dipole, Da:	5.64
IP(EA), eV:	-8.42(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-[2-(4-methoxyphenyl)-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

CC1=C(C2=CC=CC=C2N1)C(=O)CN3C=NC4=C(C3=O)C5=C(S4)CCC5

DOS

IR

Vibrations