Geometry & MOs

Info

ID:	308421
PubChem CID:	125327668
Reduced:	S2F3N3O4H16C20 (1)
Stoich.:	A2B3C3D4E16F20 (1)
Weight, g/mol:	481.120861
ΔH_f, kcal/mol:	-155.22
Dipole, Da:	5.74
IP(EA), eV:	-8.98(-2.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-methyl-6-oxo-5H-pyrimidin-2-yl)-5-thiophen-2-ylpyrazol-3-yl]-9H-xanthene-9-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)[C@@H]2C=NC(=NC2=O)SCC(=O)NC3=CC=CC=C3C(F)(F)F

DOS

IR

Vibrations