Geometry & MOs

Info

ID:	219235
PubChem CID:	85096651
Reduced:	Si2O3C27H40 (1)
Stoich.:	A2B3C27D40 (1)
Weight, g/mol:	478.192629
ΔH_f, kcal/mol:	-182.55
Dipole, Da:	2.52
IP(EA), eV:	-8.61(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[6-(2,3-dihydro-1-benzothiophen-5-ylmethylcarbamoyl)-4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl]methyl]benzoic acid

Drug info:

PubChemData

Smile

CCC=C(C(CCC1(OCCO1)C)[Si](C)(C2=CC=CC=C2)C3=CC=CC=C3)O[Si](C)(C)C

DOS

IR

Vibrations