Geometry & MOs

Info

ID:	381456
PubChem CID:	134972203
Reduced:	O5C26H32 (1)
Stoich.:	A5B26C32 (1)
Weight, g/mol:	568.282489
ΔH_f, kcal/mol:	-165.44
Dipole, Da:	3.61
IP(EA), eV:	-9.31(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,3S,4S,5R,6S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)cycloheptane-1,2-diol

Drug info:

PubChemData

Smile

CC1(O[C@@H]2[C@H]([C@H](O[C@@H]2O1)[C@@H](CC=C)COCC3=CC=CC=C3)OCC4=CC=CC=C4)C

DOS

IR

Vibrations