Geometry & MOs

Info

ID:	82334
PubChem CID:	49855902
Reduced:	SO2N3C25H35 (1)
Stoich.:	AB2C3D25E35 (1)
Weight, g/mol:	539.114056
ΔH_f, kcal/mol:	-45.65
Dipole, Da:	6.41
IP(EA), eV:	-8.51(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(5-cyano-2-methoxyphenyl)-1-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CCCN1CCCOC2=CC=C(C=C2)CCN3CCN(CC3)C(=O)C4=CC=CS4

DOS

IR

Vibrations