Geometry & MOs

Info

ID:	49856
PubChem CID:	11533968
Reduced:	OSiSnC27H54 (1)
Stoich.:	ABCD27E54 (1)
Weight, g/mol:	541.243993
ΔH_f, kcal/mol:	-112.06
Dipole, Da:	1.55
IP(EA), eV:	-8.68(0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-[1-[4-(4-tert-butylphenyl)-3-(trifluoromethyl)phenoxy]-2-methylpropyl]benzoyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CCCC[Sn](CCCC)(CCCC)/C=C/C(C(C)CC#CC)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations