Geometry & MOs

Info

ID:	261408
PubChem CID:	103231282
Reduced:	NO2C15H23 (1)
Stoich.:	AB2C15D23 (1)
Weight, g/mol:	283.087829
ΔH_f, kcal/mol:	-111.23
Dipole, Da:	6.66
IP(EA), eV:	-9.31(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[(1,1-dioxothiolan-3-yl)amino]methyl]phenyl]acetic acid

Drug info:

PubChemData

Smile

CC(=CC(=O)O)CNC12CC3CC(C1)CC(C3)C2

DOS

IR

Vibrations