Geometry & MOs

Info

ID:	32856
PubChem CID:	7848932
Reduced:	FSN2O5C18H25 (1)
Stoich.:	ABC2D5E18F25 (1)
Weight, g/mol:	408.115521
ΔH_f, kcal/mol:	-245.27
Dipole, Da:	8.75
IP(EA), eV:	-9.48(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,3-dimethylanilino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H](CN(C1)C(=O)COC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)F)C

DOS

IR

Vibrations