Geometry & MOs

Info

ID:	33508
PubChem CID:	7886777
Reduced:	ClO6H17C18 (1)
Stoich.:	AB6C17D18 (1)
Weight, g/mol:	328.070405
ΔH_f, kcal/mol:	-187.76
Dipole, Da:	7.16
IP(EA), eV:	-8.66(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-[(3-methoxyphenyl)methylsulfanyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraene

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)C(=O)COC(=O)C2=C(C=CC(=C2)Cl)OC

DOS

IR

Vibrations