Geometry & MOs

Info

ID:	43673
PubChem CID:	10321629
Reduced:	N2O3H28C29 (1)
Stoich.:	A2B3C28D29 (1)
Weight, g/mol:	452.209993
ΔH_f, kcal/mol:	-41.31
Dipole, Da:	5.82
IP(EA), eV:	-8.29(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=C(C=C2C(=C1)CCC3=C2N(C=C3C4=CC=C(C=C4)C(=O)O)CC5=CN=CC=C5)OC

DOS

IR

Vibrations