Geometry & MOs

Info

ID:	32817
PubChem CID:	7848617
Reduced:	SN2O4C20H20 (1)
Stoich.:	AB2C4D20E20 (1)
Weight, g/mol:	411.115187
ΔH_f, kcal/mol:	-121.54
Dipole, Da:	5.48
IP(EA), eV:	-8.49(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC3=C(C=C2)SCCC(=O)N3)C

DOS

IR

Vibrations