Geometry & MOs

Info

ID:	156279
PubChem CID:	56369930
Reduced:	ClOSN3C22H22 (1)
Stoich.:	ABCD3E22F22 (1)
Weight, g/mol:	393.151098
ΔH_f, kcal/mol:	17.34
Dipole, Da:	4.2
IP(EA), eV:	-8.52(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-methyl-4-(thiomorpholin-4-ylmethyl)phenyl]-4-oxo-1H-quinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)CN2CCSCC2)NC(=O)C3=CC4=C(C=C3)N=C(C=C4)Cl

DOS

IR

Vibrations