Geometry & MOs

Info

ID:	157972
PubChem CID:	56459361
Reduced:	BrS2O3N4H15C16 (1)
Stoich.:	AB2C3D4E15F16 (1)
Weight, g/mol:	365.156184
ΔH_f, kcal/mol:	-8.22
Dipole, Da:	1.45
IP(EA), eV:	-9.38(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-2-pyrrolidin-1-yl-N-(thiophen-2-ylmethyl)quinoline-3-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN1C(=O)C2=CN3C=CN=C3C=C2)S(=O)(=O)C4=CC=C(S4)Br

DOS

IR

Vibrations