Geometry & MOs

Info

ID:	192400
PubChem CID:	78264405
Reduced:	ClSO2N5C22H24 (1)
Stoich.:	ABC2D5E22F24 (1)
Weight, g/mol:	461.184325
ΔH_f, kcal/mol:	13.82
Dipole, Da:	4.04
IP(EA), eV:	-8.97(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-[7-chloro-1-(4-methoxycarbonylphenyl)-3,9-dioxo-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-dimethylazanium

Drug info:

PubChemData

Smile

C=CCN1C(=NN=C1SCC2NC3CCCCC3C(=O)N2)C4=CC5=C(O4)C=CC(=C5)Cl

DOS

IR

Vibrations