Geometry & MOs

Info

ID:	286968
PubChem CID:	104223692
Reduced:	SO2N4C13H14 (1)
Stoich.:	AB2C4D13E14 (1)
Weight, g/mol:	287.107005
ΔH_f, kcal/mol:	-1.11
Dipole, Da:	8.6
IP(EA), eV:	-9.03(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[2-(N-ethyl-3-fluoroanilino)pyrimidin-5-yl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CN(C)C2=NC=C(C=N2)/C=C/C(=O)O

DOS

IR

Vibrations