Geometry & MOs

Info

ID:	58983
PubChem CID:	24770112
Reduced:	VN2O4C12H17 (2)
Stoich.:	AB2C4D12E17 (2)
Weight, g/mol:	648.236802
ΔH_f, kcal/mol:	-306.42
Dipole, Da:	6.7
IP(EA), eV:	-6.89(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-phenylsulfanylthiane

Drug info:

PubChemData

Smile

CC(CN=C(C)C1=C(C=C(C=C1)OC)[O-])N.CC(CN=C(C)C1=C(C=C(C=C1)OC)[O-])N.[O-2].[O-2].[O-2].[O-2].[V].[V]

DOS

IR

Vibrations