Geometry & MOs

Info

ID:	147134
PubChem CID:	53786787
Reduced:	NO5H17C22 (1)
Stoich.:	AB5C17D22 (1)
Weight, g/mol:	337.152537
ΔH_f, kcal/mol:	-102.25
Dipole, Da:	7.19
IP(EA), eV:	-9.27(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoate

Drug info:

PubChemData

Smile

CCOC(=O)C(=CC1=CC2=C(O1)C=CC(=C2)C#N)C3=CC=C(C=C3)OC(=O)C

DOS

IR

Vibrations