Geometry & MOs

Info

ID:	171813
PubChem CID:	75429038
Reduced:	SN3O5C21H21 (1)
Stoich.:	AB3C5D21E21 (1)
Weight, g/mol:	305.126323
ΔH_f, kcal/mol:	-127.28
Dipole, Da:	4.01
IP(EA), eV:	-8.78(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2,3-dihydro-1-benzofuran-3-carbonyl(oxolan-2-ylmethyl)amino]acetic acid

Drug info:

PubChemData

Smile

CNS(=O)(=O)C1=CC=C(C=C1)/C=C/C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O

DOS

IR

Vibrations