Geometry & MOs

Info

ID:	200872
PubChem CID:	79457239
Reduced:	NSO4C13H13 (1)
Stoich.:	ABC4D13E13 (1)
Weight, g/mol:	279.110673
ΔH_f, kcal/mol:	-127.97
Dipole, Da:	6.45
IP(EA), eV:	-9.0(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3,4-dihydro-2H-chromene-3-carbonylamino)ethoxy]acetic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CS2)C(=O)NCCOCC(=O)O

DOS

IR

Vibrations