Geometry & MOs

Info

ID:	60172
PubChem CID:	26675823
Reduced:	SN2O5H18C20 (1)
Stoich.:	AB2C5D18E20 (1)
Weight, g/mol:	482.097014
ΔH_f, kcal/mol:	-49.35
Dipole, Da:	5.42
IP(EA), eV:	-9.23(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(2-methoxy-N-thiophen-2-ylsulfonylanilino)methyl]-4-methylquinoline-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)S(=O)(=O)N(CC2=CC=CO2)CC3=NOC(=C3)C4=CC=CO4

DOS

IR

Vibrations