Geometry & MOs

Info

ID:	29447
PubChem CID:	833865
Reduced:	SN2O3C17H18 (1)
Stoich.:	AB2C3D17E18 (1)
Weight, g/mol:	294.98196
ΔH_f, kcal/mol:	-82.09
Dipole, Da:	3.22
IP(EA), eV:	-8.36(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromo-4,5-dimethylphenyl)-2,2,2-trifluoroacetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)NC(=S)NC(=O)C2=CC=CC=C2OC)O)C

DOS

IR

Vibrations