Geometry & MOs

Info

ID:	37696
PubChem CID:	8023370
Reduced:	O2S2N3C18H23 (1)
Stoich.:	A2B2C3D18E23 (1)
Weight, g/mol:	415.112126
ΔH_f, kcal/mol:	-37.07
Dipole, Da:	7.69
IP(EA), eV:	-8.88(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-chloro-7-methoxyquinolin-3-yl)methyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide

Drug info:

PubChemData

Smile

C1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)N3CCC[C@@H]3C4=CC=CS4

DOS

IR

Vibrations