Geometry & MOs

Info

ID:	231381
PubChem CID:	87573592
Reduced:	NSC2H2F3O3 (1)
Stoich.:	ABC2D2E3F3 (1)
Weight, g/mol:	508.09977
ΔH_f, kcal/mol:	-241.16
Dipole, Da:	3.1
IP(EA), eV:	-12.65(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S)-2-(benzhydrylideneamino)-3-(3-bromo-2-nitrophenyl)propanoate

Drug info:

PubChemData

Smile

C#N.C(F)(F)(F)S(=O)(=O)O

DOS

IR

Vibrations