Geometry & MOs

Info

ID:	380322
PubChem CID:	134970732
Reduced:	SN3O5C24H29 (1)
Stoich.:	AB3C5D24E29 (1)
Weight, g/mol:	445.192294
ΔH_f, kcal/mol:	-101.86
Dipole, Da:	3.69
IP(EA), eV:	-9.31(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,6R)-6-amino-5-ethylsulfanyl-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl] acetate

Drug info:

PubChemData

Smile

CCS[C@H]1C(C([C@@H](C(O1)COCC2=CC=CC=C2)OC(=O)C)OCC3=CC=CC=C3)N=[N+]=[N-]

DOS

IR

Vibrations