Geometry & MOs

Info

ID:	157911
PubChem CID:	56458964
Reduced:	FS2O3N6C18H19 (1)
Stoich.:	AB2C3D6E18F19 (1)
Weight, g/mol:	414.141594
ΔH_f, kcal/mol:	-44.35
Dipole, Da:	11.6
IP(EA), eV:	-9.67(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-7-phenyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=NN1C2=CC(=C(C=C2)F)NC(=O)CC3=CC=C(S3)S(=O)(=O)N4CCCC4

DOS

IR

Vibrations