Geometry & MOs

Info

ID:	214729
PubChem CID:	85083492
Reduced:	Si3O4C31H66 (1)
Stoich.:	A3B4C31D66 (1)
Weight, g/mol:	586.242077
ΔH_f, kcal/mol:	-433.14
Dipole, Da:	4.16
IP(EA), eV:	-9.62(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-[3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-[2-(methylamino)propan-2-yl]phenyl]propyl]sulfanylmethyl]butanoic acid

Drug info:

PubChemData

Smile

CCCCCCCC(C=CC(CCCCCCCCCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C

DOS

IR

Vibrations