Geometry & MOs

Info

ID:	305461
PubChem CID:	124955682
Reduced:	SO2N6C15H22 (1)
Stoich.:	AB2C6D15E22 (1)
Weight, g/mol:	336.110151
ΔH_f, kcal/mol:	-7.13
Dipole, Da:	3.04
IP(EA), eV:	-9.49(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloropyrazol-1-yl)-N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)[C@@H]2CCCN2S(=O)(=O)N(C)C)C3=CC=NN3C

DOS

IR

Vibrations