Geometry & MOs

Info

ID:	177767
PubChem CID:	76228605
Reduced:	Cl2N3O3C21H21 (1)
Stoich.:	A2B3C3D21E21 (1)
Weight, g/mol:	459.182792
ΔH_f, kcal/mol:	-53.9
Dipole, Da:	5.43
IP(EA), eV:	-9.17(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-6-morpholin-4-ylsulfonyl-4aH-quinolin-2-one

Drug info:

PubChemData

Smile

CC(C)N(CC1=NC(=O)C2C=CC=CC2=N1)C(=O)C(C)OC3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations