Geometry & MOs

Info

ID:	381014
PubChem CID:	134971639
Reduced:	O4C19H23 (1)
Stoich.:	A4B19C23 (1)
Weight, g/mol:	314.151809
ΔH_f, kcal/mol:	-137.15
Dipole, Da:	2.04
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.111132
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(O[C@H]([C@@H](O1)[C@@H](C2=CC=CC=C2)O)[C@@H](C3=CC=CC=C3)[OH2+])C

DOS

IR

Vibrations