Geometry & MOs

Info

ID:	77936
PubChem CID:	49675035
Reduced:	O2N5H25C26 (1)
Stoich.:	A2B5C25D26 (1)
Weight, g/mol:	393.151098
ΔH_f, kcal/mol:	17.06
Dipole, Da:	5.41
IP(EA), eV:	-8.24(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-ethoxyanilino)quinolin-2-yl]-thiomorpholin-4-ylmethanone

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC2=C(NC3=CC=CC=C32)C(=O)N4CCN(CC4)C5=CC=CC=N5

DOS

IR

Vibrations