Geometry & MOs

Info

ID:	16390
PubChem CID:	466494
Reduced:	NSO5H11C13 (1)
Stoich.:	ABC5D11E13 (1)
Weight, g/mol:	293.035794
ΔH_f, kcal/mol:	-170.36
Dipole, Da:	7.14
IP(EA), eV:	-9.11(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-acetamido-2-(1-benzothiophen-2-yl)propanedioic acid

Drug info:

PubChemData

Smile

CC(=O)NC(C1=CC2=CC=CC=C2S1)(C(=O)O)C(=O)O

DOS

IR

Vibrations