Geometry & MOs

Info

ID:	154437
PubChem CID:	56313875
Reduced:	O3N5C18H25 (1)
Stoich.:	A3B5C18D25 (1)
Weight, g/mol:	401.084555
ΔH_f, kcal/mol:	-61.7
Dipole, Da:	5.21
IP(EA), eV:	-8.89(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C(C)C(=O)NC2=CN(N=C2)CC(=O)NC3CCCC3

DOS

IR

Vibrations