Geometry & MOs

Info

ID:	143107
PubChem CID:	53146685
Reduced:	ClFSN3O3C14H15 (1)
Stoich.:	ABCD3E3F14G15 (1)
Weight, g/mol:	331.200825
ΔH_f, kcal/mol:	-92.89
Dipole, Da:	8.03
IP(EA), eV:	-9.41(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C2=NOC(=C2)N)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

DOS

IR

Vibrations