Geometry & MOs

Info

ID:	229330
PubChem CID:	87567422
Reduced:	FS2N4O6H23C26 (1)
Stoich.:	AB2C4D6E23F26 (1)
Weight, g/mol:	198.035065
ΔH_f, kcal/mol:	-213.35
Dipole, Da:	6.79
IP(EA), eV:	-9.11(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-sulfanylidenecyclohexa-1,3-dien-1-yl)oxypropanoic acid

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1=CC2=C(C=C1)N/C(=C/3\C(=O)CC(N(C3=O)CC4=CC=C(C=C4)F)C5=CC=CC=C5)/NS2(=O)=O

DOS

IR

Vibrations