Geometry & MOs

Info

ID:	217999
PubChem CID:	85088716
Reduced:	SN3O4H17C22 (1)
Stoich.:	AB3C4D17E22 (1)
Weight, g/mol:	419.173273
ΔH_f, kcal/mol:	-27.28
Dipole, Da:	4.38
IP(EA), eV:	-9.06(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,6-diphenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl)-(6-methylpyridin-2-yl)methanol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)C2=CC=CC=C2C(=O)C(=[N+]=[N-])C3=CC=CC=C3

DOS

IR

Vibrations