Geometry & MOs

Info

ID:	155705
PubChem CID:	56367050
Reduced:	SN4O6C19H22 (1)
Stoich.:	AB4C6D19E22 (1)
Weight, g/mol:	416.148455
ΔH_f, kcal/mol:	-184.09
Dipole, Da:	2.85
IP(EA), eV:	-9.16(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]butanamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)NCC(=O)NC3=CN=CC=C3

DOS

IR

Vibrations