Geometry & MOs

Info

ID:	68399
PubChem CID:	46508337
Reduced:	SO2N4C25H30 (1)
Stoich.:	AB2C4D25E30 (1)
Weight, g/mol:	490.03895
ΔH_f, kcal/mol:	-14.62
Dipole, Da:	2.28
IP(EA), eV:	-8.85(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-iodoanilino)-2-oxoethyl] 2-(methoxymethyl)-4-methylquinoline-3-carboxylate

Drug info:

PubChemData

Smile

CCN(CC1=CC=CC=C1)C(=O)C(C)SC2=NC(=NC3=CC=CC=C32)CN4CCOCC4

DOS

IR

Vibrations