Geometry & MOs

Info

ID:	53258
PubChem CID:	14709905
Reduced:	NO3C28H39 (1)
Stoich.:	AB3C28D39 (1)
Weight, g/mol:	423.240959
ΔH_f, kcal/mol:	-119.54
Dipole, Da:	1.94
IP(EA), eV:	-8.82(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-4-(cyclohexylmethyl)-5-(1-hydroxy-2-phenylmethoxyethyl)-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

CC1(O[C@@H]([C@H](O1)[C@@H](CC2CCCCC2)NCC3=CC=CC=C3)COCC4=CC=CC=C4)C

DOS

IR

Vibrations