Geometry & MOs

Info

ID:	189280
PubChem CID:	77837494
Reduced:	NaSN3O7C12H12 (1)
Stoich.:	ABC3D7E12F12 (1)
Weight, g/mol:	374.118795
ΔH_f, kcal/mol:	-237.74
Dipole, Da:	15.17
IP(EA), eV:	-9.62(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-(4-hydroxyphenyl)-2-thiophen-3-yl-1,3-dioxan-5-yl]hex-4-enoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)NC2C(N(C2=O)S(=O)(=O)[O-])C(=O)N.[Na+]

DOS

IR

Vibrations