Geometry & MOs

Info

ID:	409140
PubChem CID:	135081919
Reduced:	PO6H21C23 (1)
Stoich.:	AB6C21D23 (1)
Weight, g/mol:	361.150036
ΔH_f, kcal/mol:	-208.22
Dipole, Da:	4.26
IP(EA), eV:	-8.79(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-tert-butyl-2-(1-phenylsulfanylnaphthalen-2-yl)-4,5-dihydro-1,3-oxazole

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(P(=C1C(=O)OC)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC

DOS

IR

Vibrations