Geometry & MOs

Info

ID:	148719
PubChem CID:	53788388
Reduced:	ClOSC7H7 (1)
Stoich.:	ABCD7E7 (1)
Weight, g/mol:	404.194737
ΔH_f, kcal/mol:	-13.9
Dipole, Da:	2.04
IP(EA), eV:	-9.4(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[hydroxy-(2-morpholin-4-ylethylamino)methylidene]-1-methoxy-5a,6,7,8,9,9a-hexahydrobenzo[g]isochromene-5,10-dione

Drug info:

PubChemData

Smile

C1=C(SC(=C1)Cl)CCC=O

DOS

IR

Vibrations