Geometry & MOs

Info

ID:	47298
PubChem CID:	10531311
Reduced:	SN2O4C35H36 (1)
Stoich.:	AB2C4D35E36 (1)
Weight, g/mol:	396.183778
ΔH_f, kcal/mol:	-81.76
Dipole, Da:	4.3
IP(EA), eV:	-8.65(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-benzyl-2-[3-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,5-dihydro-1,3-oxazole

Drug info:

PubChemData

Smile

C/C=C\1/CN([C@H]2C[C@@H]1[C@@H](C3=C2N(C4=CC=CC=C43)C(=O)OC)C(=O)OC)CC(C5=CC=C(C=C5)C)SC6=CC=CC=C6

DOS

IR

Vibrations