Geometry & MOs

Info

ID:	392381
PubChem CID:	135015075
Reduced:	PSN4O5C10H20 (1)
Stoich.:	ABC4D5E10F20 (1)
Weight, g/mol:	412.206986
ΔH_f, kcal/mol:	-270.05
Dipole, Da:	2.47
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756632
Charge, e:	0

Chem-info

IUPAC name:

(2S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(2-hydroxyethyl)oxan-4-one

Drug info:

PubChemData

Smile

CC(C(=O)N)NC(=O)C(C)N(C)C(=O)C(C)NP(=S)(O)[O-]

DOS

IR

Vibrations