Geometry & MOs

Info

ID:	348487
PubChem CID:	127273598
Reduced:	SO3N4C16H20 (1)
Stoich.:	AB3C4D16E20 (1)
Weight, g/mol:	304.189926
ΔH_f, kcal/mol:	-60.13
Dipole, Da:	8.67
IP(EA), eV:	-8.84(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-1-oxopropan-2-yl]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C)C(=O)N2CCCN3C2=CC=N3

DOS

IR

Vibrations