Geometry & MOs

Info

ID:	392193
PubChem CID:	135013599
Reduced:	SN2O4H6C10 (1)
Stoich.:	AB2C4D6E10 (1)
Weight, g/mol:	338.209324
ΔH_f, kcal/mol:	45.37
Dipole, Da:	7.35
IP(EA), eV:	-10.07(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,3R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methoxy-1-[(2-methylpropan-2-yl)oxy]-3-phenylpropan-2-ol

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=CC=C(S2)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations