Geometry & MOs

Info

ID:	142271
PubChem CID:	53007890
Reduced:	ClN2O3H19C23 (1)
Stoich.:	AB2C3D19E23 (1)
Weight, g/mol:	422.093643
ΔH_f, kcal/mol:	-77.15
Dipole, Da:	8.65
IP(EA), eV:	-9.37(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carbonyl)amino]thiophene-2-carboxylate

Drug info:

PubChemData

Smile

C1C(CC(=O)C2=C1NC(=O)C(=C2)C(=O)NCC3=CC=C(C=C3)Cl)C4=CC=CC=C4

DOS

IR

Vibrations