Geometry & MOs

Info

ID:	396960
PubChem CID:	135029513
Reduced:	SN2O2H20C26 (1)
Stoich.:	AB2C2D20E26 (1)
Weight, g/mol:	377.256609
ΔH_f, kcal/mol:	46.73
Dipole, Da:	4.44
IP(EA), eV:	-8.68(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5R,8R,10R,11S,12R,13S)-7-ethyl-12-(hydroxymethyl)-5-methyl-7-azahexacyclo[7.6.2.210,13.01,8.05,16.010,15]nonadecane-4,11,12-triol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C(=CC(=N2)C3=CC4=CC=CC=C4C=C3)C5=CC=CC=C5

DOS

IR

Vibrations