Geometry & MOs

Info

ID:	182436
PubChem CID:	76888920
Reduced:	SN3O3C22H31 (1)
Stoich.:	AB3C3D22E31 (1)
Weight, g/mol:	422.220557
ΔH_f, kcal/mol:	-131.1
Dipole, Da:	8.04
IP(EA), eV:	-8.68(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-2-(2-oxo-3H-quinolin-3-yl)acetamide

Drug info:

PubChemData

Smile

CCN1C(=O)C2CCC(CC2NC1=S)C(=O)NCCOC3=CC=C(C=C3)C(C)C

DOS

IR

Vibrations