Geometry & MOs

Info

ID:	261817
PubChem CID:	103252877
Reduced:	NS2O4C14H17 (1)
Stoich.:	AB2C4D14E17 (1)
Weight, g/mol:	295.141973
ΔH_f, kcal/mol:	-141.62
Dipole, Da:	6.17
IP(EA), eV:	-9.14(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(4-ethoxy-4-oxobutyl)amino]ethoxy]benzoic acid

Drug info:

PubChemData

Smile

CC(CS(=O)(=O)C)NCC1=C(SC2=CC=CC=C21)C(=O)O

DOS

IR

Vibrations