Geometry & MOs

Info

ID:	187335
PubChem CID:	77560576
Reduced:	SN4O7C33H36 (1)
Stoich.:	AB4C7D33E36 (1)
Weight, g/mol:	540.251189
ΔH_f, kcal/mol:	-176.62
Dipole, Da:	6.62
IP(EA), eV:	-8.61(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-benzyl-6-(hydroxymethyl)-3,4,5-tris(phenylmethoxy)oxan-2-ol

Drug info:

PubChemData

Smile

CC(=O)NC(=CC1=C(C=C(C=C1)C#N)OCC(CC2=CC=C(C=C2)OC3CCNCC3)NS(=O)(=O)C4=CC=CC=C4)C(=O)OC

DOS

IR

Vibrations