Geometry & MOs

Info

ID:	200974
PubChem CID:	79468197
Reduced:	NSO6C13H17 (1)
Stoich.:	ABC6D13E17 (1)
Weight, g/mol:	303.091829
ΔH_f, kcal/mol:	-241.66
Dipole, Da:	2.84
IP(EA), eV:	-10.01(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]ethoxy]acetic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=O)(=O)CCC(=O)NCCOCC(=O)O

DOS

IR

Vibrations