Geometry & MOs

Info

ID:	32822
PubChem CID:	7848678
Reduced:	FSN2O5C15H21 (1)
Stoich.:	ABC2D5E15F21 (1)
Weight, g/mol:	409.063151
ΔH_f, kcal/mol:	-245.42
Dipole, Da:	8.01
IP(EA), eV:	-9.53(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate

Drug info:

PubChemData

Smile

CC[C@@H](C)NC(=O)COC(=O)CN(C)S(=O)(=O)C1=CC=C(C=C1)F

DOS

IR

Vibrations