Geometry & MOs

Info

ID:	398635
PubChem CID:	135034469
Reduced:	FH5C6 (3)
Stoich.:	AB5C6 (3)
Weight, g/mol:	519.283857
ΔH_f, kcal/mol:	-83.96
Dipole, Da:	3.51
IP(EA), eV:	-9.48(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4a-(benzenesulfonyl)-7-methyl-3-tri(propan-2-yl)silyloxy-3,4,5,6,7,8-hexahydro-2H-quinolin-5-yl]propan-2-one

Drug info:

PubChemData

Smile

CC(CC1=CC=CC=C1)(C#C)C2=CC=C(C=C2)C(F)(F)F

DOS

IR

Vibrations