Geometry & MOs

Info

ID:	31823
PubChem CID:	3719743
Reduced:	NSO3C15H19 (2)
Stoich.:	ABC3D15E19 (2)
Weight, g/mol:	427.125358
ΔH_f, kcal/mol:	-180.49
Dipole, Da:	5.44
IP(EA), eV:	-8.24(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[[(4-fluorophenyl)methyl-(2-methylbenzoyl)amino]methyl]phenyl] methanesulfonate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N(CCC2=CC(=C(C=C2)OC)OC)CC3=CC=CS3)C4CCCCC4

DOS

IR

Vibrations