Geometry & MOs

Info

ID:	214976
PubChem CID:	85083944
Reduced:	SO6N10C29H42 (1)
Stoich.:	AB6C10D29E42 (1)
Weight, g/mol:	658.275296
ΔH_f, kcal/mol:	-175.49
Dipole, Da:	2.43
IP(EA), eV:	-9.32(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4-methylphenyl)sulfanyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-1-phenylethanone

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNC(=O)C(=O)C(CCCN=C(N)N)NC(=O)CNC(=O)C(CCCN=C(N)N)NS(=O)(=O)CC2=CC=CC=C2

DOS

IR

Vibrations