Geometry & MOs

Info

ID:	192511
PubChem CID:	78279259
Reduced:	SF2N2O2H18C20 (1)
Stoich.:	AB2C2D2E18F20 (1)
Weight, g/mol:	408.136845
ΔH_f, kcal/mol:	-115.53
Dipole, Da:	4.07
IP(EA), eV:	-8.97(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-[3-(furan-2-yl)-5-(4-methylphenyl)-1,3-dihydropyrazol-2-yl]ethanone

Drug info:

PubChemData

Smile

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=CC(=C(C=C3)F)F

DOS

IR

Vibrations