Geometry & MOs

Info

ID:	230661
PubChem CID:	87571589
Reduced:	F2S2N3O6H27C31 (1)
Stoich.:	A2B2C3D6E27F31 (1)
Weight, g/mol:	406.01897
ΔH_f, kcal/mol:	-192.33
Dipole, Da:	10.27
IP(EA), eV:	-8.93(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-[2-(dimethylamino)ethylamino]-2-(2-fluoro-5-iodobenzoyl)prop-2-enoic acid

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2=CC=C(C=C2)OC3=CN=C(S3)NC(=O)C(C4=CC=C(C=C4)S(=O)(=O)C5CC5)OC6=C(C=C(C=C6)F)F

DOS

IR

Vibrations