Geometry & MOs

Info

ID:	46934
PubChem CID:	10528492
Reduced:	BrNO5C23H24 (1)
Stoich.:	ABC5D23E24 (1)
Weight, g/mol:	474.167853
ΔH_f, kcal/mol:	-152.17
Dipole, Da:	5.07
IP(EA), eV:	-9.07(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R,3R,4S)-4-benzoyloxy-2,3-bis(phenylmethoxy)-3,4-dihydro-2H-pyran-6-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(C(=C1Br)C2=CC=CC=C2)COC(CO)CO)C3=CC=CC=C3

DOS

IR

Vibrations