Geometry & MOs

Info

ID:	399649
PubChem CID:	135041490
Reduced:	BrNO2C14H18 (1)
Stoich.:	ABC2D14E18 (1)
Weight, g/mol:	266.131823
ΔH_f, kcal/mol:	-88.19
Dipole, Da:	1.46
IP(EA), eV:	-9.54(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S)-2-benzyl-2-fluoro-3-oxobutanoate

Drug info:

PubChemData

Smile

CC(=O)CC(C)(C)N(C1=CC=C(C=C1)Br)C(=O)C

DOS

IR

Vibrations