Geometry & MOs

Info

ID:	49779
PubChem CID:	11533817
Reduced:	BrNO4H22C29 (1)
Stoich.:	ABC4D22E29 (1)
Weight, g/mol:	528.06908
ΔH_f, kcal/mol:	-31.51
Dipole, Da:	3.23
IP(EA), eV:	-8.66(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methylsulfonylphenyl)-7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)O/C(=C\C3=CC=C(C=C3)OCCN4C=CC5=C4C=CC(=C5)Br)/C(=O)O

DOS

IR

Vibrations