Geometry & MOs

Info

ID:	167804
PubChem CID:	74879758
Reduced:	FNSO2C13H14 (1)
Stoich.:	ABCD2E13F14 (1)
Weight, g/mol:	266.106671
ΔH_f, kcal/mol:	-90.81
Dipole, Da:	5.08
IP(EA), eV:	-8.74(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-fluoro-4-[methyl-[2-(methylamino)-2-oxoethyl]amino]phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

C1CSCCN1C2=C(C=C(C=C2)F)C=CC(=O)O

DOS

IR

Vibrations