Geometry & MOs

Info

ID:	300201
PubChem CID:	121269846
Reduced:	N2S2F3O4H19C21 (1)
Stoich.:	A2B2C3D4E19F21 (1)
Weight, g/mol:	285.95647
ΔH_f, kcal/mol:	-203.95
Dipole, Da:	4.91
IP(EA), eV:	-7.84(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-6-methoxy-2-(trifluoromethoxy)pyridin-3-amine

Drug info:

PubChemData

Smile

CC(C)(C)S(=O)/N=C/1\C2=C(C=CC(=C2CC1(F)F)OC3=CC(=CC(=C3)C#N)F)S(=O)(=O)C

DOS

IR

Vibrations