Geometry & MOs

Info

ID:	380324
PubChem CID:	134970734
Reduced:	SN3O5C24H31 (1)
Stoich.:	AB3C5D24E31 (1)
Weight, g/mol:	473.198442
ΔH_f, kcal/mol:	-138.86
Dipole, Da:	1.6
IP(EA), eV:	-9.1(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,6S)-5-(aminodiazenyl)-6-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)[NH2+]N=[N-]

DOS

IR

Vibrations