Geometry & MOs

Info

ID:	121678
PubChem CID:	50776667
Reduced:	ClOSN2H27C28 (1)
Stoich.:	ABCD2E27F28 (1)
Weight, g/mol:	431.166748
ΔH_f, kcal/mol:	14.12
Dipole, Da:	3.48
IP(EA), eV:	-8.94(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-methoxy-3-phenyl-N-(2-pyrrolidin-1-ylethyl)thieno[3,2-c]quinoline-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2=C(SC3=C4C=C(C=CC4=NC=C23)Cl)C(=O)NCCC5=CCCCC5

DOS

IR

Vibrations