Geometry & MOs

Info

ID:	218540
PubChem CID:	85089593
Reduced:	SN2O7C23H30 (1)
Stoich.:	AB2C7D23E30 (1)
Weight, g/mol:	478.246772
ΔH_f, kcal/mol:	-281.84
Dipole, Da:	8.93
IP(EA), eV:	-9.49(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[2-[[3-[4-(hept-6-ynylcarbamoyl)-1,3-oxazol-2-yl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]propanoate

Drug info:

PubChemData

Smile

CCOC(=O)CN(C)C(=O)C(CC(=O)OC(C)(C)C)NS(=O)(=O)C1=CC2=CC=CC=C2C=C1

DOS

IR

Vibrations