Geometry & MOs

Info

ID:	182130
PubChem CID:	76851180
Reduced:	ClON2C7H9 (1)
Stoich.:	ABC2D7E9 (1)
Weight, g/mol:	514.112934
ΔH_f, kcal/mol:	-38.62
Dipole, Da:	1.66
IP(EA), eV:	-8.24(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-[(6-ethoxy-2-oxo-3H-quinolin-3-yl)methyl]-6-fluoro-N-(oxolan-2-ylmethyl)-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC(=C1O)Cl)N)N

DOS

IR

Vibrations