Geometry & MOs

Info

ID:	243283
PubChem CID:	99218181
Reduced:	ClFO2S2N3H17C20 (1)
Stoich.:	ABC2D2E3F17G20 (1)
Weight, g/mol:	454.077886
ΔH_f, kcal/mol:	-52.36
Dipole, Da:	6.7
IP(EA), eV:	-8.97(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide

Drug info:

PubChemData

Smile

C1C[C@H](CN(C1)C(=O)C2=CC=CS2)C(=O)NC3=NC(=CS3)C4=CC(=C(C=C4)F)Cl

DOS

IR

Vibrations