Geometry & MOs

Info

ID:	447101
PubChem CID:	135280297
Reduced:	O3N6C39H52 (1)
Stoich.:	A3B6C39D52 (1)
Weight, g/mol:	356.125988
ΔH_f, kcal/mol:	-80.48
Dipole, Da:	7.43
IP(EA), eV:	-8.64(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3R,4S)-3-benzoyloxy-4-hydroxy-4-methyloxolan-2-yl]methyl benzoate

Drug info:

PubChemData

Smile

CCN(C1CCN(CC1)C(=O)C=C)C2=CC(=CC(=C2C)C(=O)NCC3=C(C=C(NC3=O)C)C)C4=CC=CC(=C4)CN5CCCN(CC5)C

DOS

IR

Vibrations