Geometry & MOs

Info

ID:	46031
PubChem CID:	10520625
Reduced:	NO5C18H23 (1)
Stoich.:	AB5C18D23 (1)
Weight, g/mol:	333.157623
ΔH_f, kcal/mol:	-208.05
Dipole, Da:	5.54
IP(EA), eV:	-9.64(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (E,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxohex-2-enoate

Drug info:

PubChemData

Smile

CC(C)COC(=O)OC(=O)[C@@H]1CCCN1C(=O)CC2=CC=CC=C2

DOS

IR

Vibrations