Geometry & MOs

Info

ID:	169682
PubChem CID:	75136091
Reduced:	FSO2N6H17C19 (1)
Stoich.:	ABC2D6E17F19 (1)
Weight, g/mol:	433.132094
ΔH_f, kcal/mol:	-7.79
Dipole, Da:	8.69
IP(EA), eV:	-8.63(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-cyano-5-methyl-7-oxo-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=O)N2C(N1)C(CN2)C#N)CC(=O)NC3=NC(=CS3)C4=CC=C(C=C4)F

DOS

IR

Vibrations