Geometry & MOs

Info

ID:	43472
PubChem CID:	10321347
Reduced:	SN2O6C22H26 (1)
Stoich.:	AB2C6D22E26 (1)
Weight, g/mol:	446.209324
ΔH_f, kcal/mol:	-218.01
Dipole, Da:	7.77
IP(EA), eV:	-8.96(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,4R,5R)-1,3,4-tris(phenylmethoxy)hept-6-yne-2,5-diol

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H](CO)[C@H](C1=CC2=CC=CC=C2N1S(=O)(=O)C3=CC=CC=C3)O

DOS

IR

Vibrations