Geometry & MOs

Info

ID:	142259
PubChem CID:	53006664
Reduced:	SO2N3C14H19 (1)
Stoich.:	AB2C3D14E19 (1)
Weight, g/mol:	333.107102
ΔH_f, kcal/mol:	-43.47
Dipole, Da:	4.16
IP(EA), eV:	-9.08(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(difluoromethyl)-5-methyl-4-[(2-pyrrolidin-1-yl-4,5-dihydroimidazol-1-yl)sulfonyl]pyrazole

Drug info:

PubChemData

Smile

CC1=CC=CC=C1S(=O)(=O)N2CCN=C2N3CCCC3

DOS

IR

Vibrations