Geometry & MOs

Info

ID:	32134
PubChem CID:	4266335
Reduced:	ClN3O3C11H12 (1)
Stoich.:	AB3C3D11E12 (1)
Weight, g/mol:	419.105211
ΔH_f, kcal/mol:	-100.33
Dipole, Da:	3.27
IP(EA), eV:	-9.44(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylhydrazinylidene)methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C(=C(N1)NC(=O)CCl)C#N)C

DOS

IR

Vibrations