Geometry & MOs

Info

ID:	138932
PubChem CID:	52445930
Reduced:	OSF3H9C16 (1)
Stoich.:	ABC3D9E16 (1)
Weight, g/mol:	431.103873
ΔH_f, kcal/mol:	-110.09
Dipole, Da:	2.46
IP(EA), eV:	-8.95(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-[(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enoyl]phenyl]sulfonylamino]acetic acid

Drug info:

PubChemData

Smile

C1/C(=C\C2=C(C=C(C=C2)F)F)/C(=O)C3=C(S1)C=CC(=C3)F

DOS

IR

Vibrations