Geometry & MOs

Info

ID:	231604
PubChem CID:	87574297
Reduced:	S2O5F6H26C27 (1)
Stoich.:	A2B5C6D26E27 (1)
Weight, g/mol:	279.147058
ΔH_f, kcal/mol:	-451.17
Dipole, Da:	9.51
IP(EA), eV:	-8.72(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-methoxyphenyl)-1-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]formamide

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)OC(CS(=O)(=O)OS(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)(C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations