Geometry & MOs

Info

ID:	219702
PubChem CID:	85164598
Reduced:	S2O3C33H56 (1)
Stoich.:	A2B3C33D56 (1)
Weight, g/mol:	565.192351
ΔH_f, kcal/mol:	-221.31
Dipole, Da:	6.17
IP(EA), eV:	-9.0(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(6,8-dimethoxy-[1,3]dioxolo[4,5-h]quinolin-7-yl)-3-methoxy-3-methylbutan-2-yl] 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate

Drug info:

PubChemData

Smile

CCOC(=O)C(C)SC(=S)OC1CCC2(C(C1)CCC3C2CCC4(C3CCC4C(C)CCCC(C)C)C)C

DOS

IR

Vibrations