Geometry & MOs

Info

ID:	380790
PubChem CID:	134971351
Reduced:	O4C31H42 (1)
Stoich.:	A4B31C42 (1)
Weight, g/mol:	398.24571
ΔH_f, kcal/mol:	-190.28
Dipole, Da:	1.87
IP(EA), eV:	-9.37(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[(4R,5R)-5-[(1R)-1-hydroxy-2-methyl-1-phenylpropyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-1-phenylpropan-1-ol

Drug info:

PubChemData

Smile

CC1(O[C@H]([C@@H](O1)[C@](C2CCCCC2)(C3=CC=CC=C3)O)[C@](C4CCCCC4)(C5=CC=CC=C5)O)C

DOS

IR

Vibrations