Geometry & MOs

Info

ID:	169685
PubChem CID:	75136094
Reduced:	F2O3N4C21H22 (1)
Stoich.:	A2B3C4D21E22 (1)
Weight, g/mol:	430.102351
ΔH_f, kcal/mol:	-169.77
Dipole, Da:	6.24
IP(EA), eV:	-9.8(-0.84)
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-(3,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide

Drug info:

PubChemData

Smile

CCN(C1C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C(C3=CC=CC=C3)(F)F

DOS

IR

Vibrations