Geometry & MOs

Info

ID:	46112
PubChem CID:	10522024
Reduced:	NOH23C25 (1)
Stoich.:	ABC23D25 (1)
Weight, g/mol:	354.052172
ΔH_f, kcal/mol:	60.56
Dipole, Da:	0.89
IP(EA), eV:	-7.93(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[(1,1-dioxo-1-benzothiophen-2-yl)methoxycarbonylamino]acetyl]amino]acetic acid

Drug info:

PubChemData

Smile

COC1=CC2=CC(=C(N2C=C1)CC3=CC=CC=C3C4=CC=CC=C4)C5CC5

DOS

IR

Vibrations