Geometry & MOs

Info

ID:	60177
PubChem CID:	26675839
Reduced:	S2O3N6C15H16 (1)
Stoich.:	A2B3C6D15E16 (1)
Weight, g/mol:	482.097014
ΔH_f, kcal/mol:	-9.11
Dipole, Da:	3.69
IP(EA), eV:	-8.7(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N(CC2=NC(=NC(=N2)N)N)S(=O)(=O)C3=CC=CS3

DOS

IR

Vibrations