Geometry & MOs

Info

ID:	381013
PubChem CID:	134971638
Reduced:	O4C19H20 (1)
Stoich.:	A4B19C20 (1)
Weight, g/mol:	315.159634
ΔH_f, kcal/mol:	-128.75
Dipole, Da:	2.35
IP(EA), eV:	-9.59(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(R)-[(4S,5S)-5-[(R)-hydroxy(phenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethyl]oxidanium

Drug info:

PubChemData

Smile

CC1(O[C@H]([C@@H](O1)C(=O)C2=CC=CC=C2)[C@@H](C3=CC=CC=C3)O)C

DOS

IR

Vibrations