Geometry & MOs

Info

ID:	392776
PubChem CID:	135017914
Reduced:	O5C28H28 (1)
Stoich.:	A5B28C28 (1)
Weight, g/mol:	354.179087
ΔH_f, kcal/mol:	-112.51
Dipole, Da:	2.08
IP(EA), eV:	-9.5(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]-1,3-oxazole-4-carboxylate

Drug info:

PubChemData

Smile

C=C1[C@@H]([C@H]([C@H](O1)C2COC(O2)C3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5

DOS

IR

Vibrations