Geometry & MOs

Info

ID:	228919
PubChem CID:	87566240
Reduced:	O9C17H34 (1)
Stoich.:	A9B17C34 (1)
Weight, g/mol:	474.177727
ΔH_f, kcal/mol:	-442.19
Dipole, Da:	5.63
IP(EA), eV:	-10.06(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[(3Z)-1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-3-(quinolin-3-ylmethylidene)piperidin-4-yl] ethanethioate

Drug info:

PubChemData

Smile

CCCCOC(CC(=O)O)C(=O)O.CC(CO)OCC(C)OCC(C)O

DOS

IR

Vibrations