Geometry & MOs

Info

ID:	404775
PubChem CID:	135070792
Reduced:	PC6O9H11 (1)
Stoich.:	AB6C9D11 (1)
Weight, g/mol:	267.089543
ΔH_f, kcal/mol:	-342.64
Dipole, Da:	3.01
IP(EA), eV:	-10.42(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-[(4-hydroxyphenyl)methyl]-2-phenyl-4H-1,3-oxazol-5-one

Drug info:

PubChemData

Smile

C([C@@H]1[C@H]([C@H]([C@H]([C@@H](O1)O)O)O)O)OP(=O)([O-])[O-]

DOS

IR

Vibrations