Geometry & MOs

Info

ID:	32805
PubChem CID:	7848561
Reduced:	SN2O4C21H28 (1)
Stoich.:	AB2C4D21E28 (1)
Weight, g/mol:	381.104622
ΔH_f, kcal/mol:	-169.48
Dipole, Da:	5.5
IP(EA), eV:	-9.46(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methylphenoxy)ethyl 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate

Drug info:

PubChemData

Smile

C[C@H]1CCC[C@H]([C@H]1C)NC(=O)[C@@H](C)OC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

DOS

IR

Vibrations