Geometry & MOs

Info

ID:	270208
PubChem CID:	103634554
Reduced:	SN5H13C15 (1)
Stoich.:	AB5C13D15 (1)
Weight, g/mol:	354.9667
ΔH_f, kcal/mol:	123.2
Dipole, Da:	2.76
IP(EA), eV:	-8.66(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-bromo-2-hydroxybenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid

Drug info:

PubChemData

Smile

CC1=NN2C=C(C=NC2=C1)CNC3=CC4=C(C=C3)N=CS4

DOS

IR

Vibrations