Geometry & MOs

Info

ID:	44824
PubChem CID:	10506061
Reduced:	OSiSnC25H54 (1)
Stoich.:	ABCD25E54 (1)
Weight, g/mol:	517.130757
ΔH_f, kcal/mol:	-140.52
Dipole, Da:	1.62
IP(EA), eV:	-8.68(0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[3-(3-cyanophenyl)-5-[[4-(2-methylsulfonylphenyl)phenyl]carbamoyl]-4H-1,2-oxazol-5-yl]acetate

Drug info:

PubChemData

Smile

CCCC[Sn](CCCC)(CCCC)C(CC(C)C)OCC/C=C\C[Si](C)(C)C

DOS

IR

Vibrations