Geometry & MOs

Info

ID:	218520
PubChem CID:	85089565
Reduced:	SN4O9H18C19 (1)
Stoich.:	AB4C9D18E19 (1)
Weight, g/mol:	476.165802
ΔH_f, kcal/mol:	-299.75
Dipole, Da:	9.05
IP(EA), eV:	-9.98(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methoxycarbonyl-5-methyl-4-oxo-2-[1-(3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl)oxyethyl]heptanoic acid

Drug info:

PubChemData

Smile

C1C(N(C(=O)NC1=O)C2C(C3(C(O2)COC(=O)C4=CC=CC=C4)C(=CS(=O)(=O)O3)N)O)C#N

DOS

IR

Vibrations