Geometry & MOs

Info

ID:	193552
PubChem CID:	78405936
Reduced:	SCl2N3O3H17C20 (1)
Stoich.:	AB2C3D3E17F20 (1)
Weight, g/mol:	555.262088
ΔH_f, kcal/mol:	-62.82
Dipole, Da:	8.52
IP(EA), eV:	-8.94(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-hexyl-2-(6-hexyl-2,7-dioxochromen-3-ylidene)-4-methyl-3,9-dihydrochromeno[3,4-c]pyridine-5,8-dione

Drug info:

PubChemData

Smile

C1CCC2C(C1)NC(=C(C#N)C(=O)COC(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl)N2

DOS

IR

Vibrations