Geometry & MOs

Info

ID:	44857
PubChem CID:	10506200
Reduced:	SF3O3C29H37 (1)
Stoich.:	AB3C3D29E37 (1)
Weight, g/mol:	522.393377
ΔH_f, kcal/mol:	-305.25
Dipole, Da:	3.0
IP(EA), eV:	-8.93(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[10-[(7,7-dimethyl-2-oxo-1,5,6,8-tetrahydroquinolin-5-yl)amino]decylamino]-7,7-dimethyl-1,5,6,8-tetrahydroquinolin-2-one

Drug info:

PubChemData

Smile

CC(OC1=C(SC=C1)C(C23CC4CC(C2)CC(C4)C3)C56CC7CC(C5)CC(C7)C6)OC(=O)C(F)(F)F

DOS

IR

Vibrations