Geometry & MOs

Info

ID:	356459
PubChem CID:	127291532
Reduced:	O2S2N3C16H23 (1)
Stoich.:	A2B2C3D16E23 (1)
Weight, g/mol:	323.141596
ΔH_f, kcal/mol:	-54.42
Dipole, Da:	6.56
IP(EA), eV:	-8.95(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3,5-trimethyl-4-[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyrazole

Drug info:

PubChemData

Smile

CC1=CC(=C(S1)C)S(=O)(=O)N2CCCC2C3=C(N(N=C3C)C)C

DOS

IR

Vibrations