Geometry & MOs

Info

ID:	402250
PubChem CID:	135055213
Reduced:	BrNOC14H14 (1)
Stoich.:	ABCD14E14 (1)
Weight, g/mol:	321.157623
ΔH_f, kcal/mol:	-12.15
Dipole, Da:	5.03
IP(EA), eV:	-9.37(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-phenylbutanoate

Drug info:

PubChemData

Smile

C1C[C@H]2CC(=CC(=O)N2C1)C3=CC=C(C=C3)Br

DOS

IR

Vibrations