Geometry & MOs

Info

ID:	186662
PubChem CID:	77464187
Reduced:	SN2O3C25H28 (1)
Stoich.:	AB2C3D25E28 (1)
Weight, g/mol:	456.16066
ΔH_f, kcal/mol:	-102.47
Dipole, Da:	1.93
IP(EA), eV:	-8.89(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(hydroxymethyl)-2-[4-methyl-3-[[5-(4-methylphenyl)thiophen-2-yl]methyl]phenyl]oxane-2,3,4,5-tetrol

Drug info:

PubChemData

Smile

CC1(C(C(=O)N2CCCCC2S1)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C

DOS

IR

Vibrations