Geometry & MOs

Info

ID:	351162
PubChem CID:	127279720
Reduced:	SN2O4C19H26 (1)
Stoich.:	AB2C4D19E26 (1)
Weight, g/mol:	353.177313
ΔH_f, kcal/mol:	-172.11
Dipole, Da:	2.67
IP(EA), eV:	-9.04(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclohexylsulfonyl-1-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-3-methylbutan-1-one

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC1=CC2=C(CNC2=O)C=C1)S(=O)(=O)C3CCCCC3

DOS

IR

Vibrations