Geometry & MOs

Info

ID:	382935
PubChem CID:	134974377
Reduced:	NaSN3H4O4C7 (1)
Stoich.:	ABC3D4E4F7 (1)
Weight, g/mol:	578.287968
ΔH_f, kcal/mol:	-112.59
Dipole, Da:	6.39
IP(EA), eV:	-9.68(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,4S,5R,8S,9R)-8-(methoxymethoxy)-9-[(4-methoxyphenyl)methoxy]-4,5-bis(phenylmethoxy)dec-6-enoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)[O-])S(=O)(=O)N=[N+]=[N-].[Na+]

DOS

IR

Vibrations