Geometry & MOs

Info

ID:	122794
PubChem CID:	50821815
Reduced:	ClS2N3O5H18C21 (1)
Stoich.:	AB2C3D5E18F21 (1)
Weight, g/mol:	455.232125
ΔH_f, kcal/mol:	-67.8
Dipole, Da:	4.19
IP(EA), eV:	-8.37(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(4-methylphenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(S1)C2=NC(=NO2)C3=CC(=CC=C3)Cl)S(=O)(=O)NC4=C(C=C(C=C4)OC)OC

DOS

IR

Vibrations