Geometry & MOs

Info

ID:	226525
PubChem CID:	87457752
Reduced:	OC9H16 (2)
Stoich.:	AB9C16 (2)
Weight, g/mol:	479.058518
ΔH_f, kcal/mol:	-125.9
Dipole, Da:	4.81
IP(EA), eV:	-9.6(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-5-methyl-1-(quinolin-4-ylmethyl)-4-sulfanylidene-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-2-one

Drug info:

PubChemData

Smile

CCC=CCCCC/C=C\CCCCCCCC(=O)O

DOS

IR

Vibrations