Geometry & MOs

Info

ID:	315139
PubChem CID:	126624584
Reduced:	INS2C4O4F8 (1)
Stoich.:	ABC2D4E4F8 (1)
Weight, g/mol:	319.214744
ΔH_f, kcal/mol:	-502.58
Dipole, Da:	2.21
IP(EA), eV:	-10.44(-3.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-[tert-butyl(3,3-dimethylbutyl)amino]-2-oxoacetate

Drug info:

PubChemData

Smile

C1(C(C(S(=O)(=O)N(S(=O)(=O)C1(F)F)I)(F)F)(F)F)(F)F

DOS

IR

Vibrations