Geometry & MOs

Info

ID:	381473
PubChem CID:	134972224
Reduced:	SN2O2H16C18 (1)
Stoich.:	AB2C2D16E18 (1)
Weight, g/mol:	486.240624
ΔH_f, kcal/mol:	2.02
Dipole, Da:	4.03
IP(EA), eV:	-8.72(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[(3R,4R,5S,6R)-3-methyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]prop-2-yn-1-ol

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=CC(=C(S2)C#N)NC3=CC(=O)CCC3

DOS

IR

Vibrations