Geometry & MOs

Info

ID:	293286
PubChem CID:	117381921
Reduced:	NSO2C13H17 (1)
Stoich.:	ABC2D13E17 (1)
Weight, g/mol:	251.098
ΔH_f, kcal/mol:	-73.99
Dipole, Da:	5.74
IP(EA), eV:	-9.1(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-2-[2-(thian-4-yl)phenyl]acetic acid

Drug info:

PubChemData

Smile

C1CC(CNC1)C2=CC3=C(CCS3(=O)=O)C=C2

DOS

IR

Vibrations