Geometry & MOs

Info

ID:	372573
PubChem CID:	131299964
Reduced:	SN4C11H14 (1)
Stoich.:	AB4C11D14 (1)
Weight, g/mol:	344.94736
ΔH_f, kcal/mol:	48.79
Dipole, Da:	3.88
IP(EA), eV:	-8.67(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-amino-5-iodo-2-(trifluoromethyl)phenyl]acetic acid

Drug info:

PubChemData

Smile

CCC1=NC=C(C(=N1)CC2=CSC(=N2)C)N

DOS

IR

Vibrations