Geometry & MOs

Info

ID:	33535
PubChem CID:	7886856
Reduced:	SN3O4C20H21 (1)
Stoich.:	AB3C4D20E21 (1)
Weight, g/mol:	356.06532
ΔH_f, kcal/mol:	-51.7
Dipole, Da:	2.85
IP(EA), eV:	-8.35(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methoxyphenyl)-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)ethanone

Drug info:

PubChemData

Smile

CN1C(=NN=C1SCC(=O)C2=C(C=CC(=C2)OC)OC)C3=CC=CC=C3OC

DOS

IR

Vibrations