Geometry & MOs

Info

ID:	146993
PubChem CID:	53776958
Reduced:	BrO2C15H15 (1)
Stoich.:	AB2C15D15 (1)
Weight, g/mol:	398.278072
ΔH_f, kcal/mol:	-46.99
Dipole, Da:	2.93
IP(EA), eV:	-8.97(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-cyclohexylethyl-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]acetic acid

Drug info:

PubChemData

Smile

C[C@](C1=CC=C(C=C1)OCC2=CC=CC=C2)(O)Br

DOS

IR

Vibrations