Geometry & MOs

Info

ID:	18428
PubChem CID:	540880
Reduced:	BrF3N3O3C11H11 (1)
Stoich.:	AB3C3D3E11F11 (1)
Weight, g/mol:	368.99359
ΔH_f, kcal/mol:	-246.39
Dipole, Da:	5.19
IP(EA), eV:	-9.39(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-acetamido-2-[(5-bromopyridin-2-yl)amino]-3,3,3-trifluoropropanoate

Drug info:

PubChemData

Smile

CC(=O)NC(C(=O)OC)(C(F)(F)F)NC1=NC=C(C=C1)Br

DOS

IR

Vibrations