Geometry & MOs

Info

ID:	307123
PubChem CID:	125269221
Reduced:	FSO3N4H21C26 (1)
Stoich.:	ABC3D4E21F26 (1)
Weight, g/mol:	447.154269
ΔH_f, kcal/mol:	-28.94
Dipole, Da:	3.02
IP(EA), eV:	-8.96(-2.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3,4-dimethoxyphenyl)-N-[5-(furan-2-yl)-2-(4-methyl-6-oxo-5H-pyrimidin-2-yl)pyrazol-3-yl]prop-2-enamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N2[C@H](N=C3C4=CC=CC=C4N=C3C2=O)SCC(=O)NC5=CC(=CC=C5)F

DOS

IR

Vibrations