Geometry & MOs

Info

ID:	142273
PubChem CID:	53007892
Reduced:	SN3O3H17C23 (1)
Stoich.:	AB3C3D17E23 (1)
Weight, g/mol:	446.147786
ΔH_f, kcal/mol:	-32.73
Dipole, Da:	10.08
IP(EA), eV:	-8.81(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-(4-methoxyphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide

Drug info:

PubChemData

Smile

C1C(CC(=O)C2=C1NC(=O)C(=C2)C(=O)NC3=NC4=CC=CC=C4S3)C5=CC=CC=C5

DOS

IR

Vibrations