Geometry & MOs

Info

ID:	415004
PubChem CID:	135087984
Reduced:	SO2N5C14H23 (1)
Stoich.:	AB2C5D14E23 (1)
Weight, g/mol:	306.151433
ΔH_f, kcal/mol:	-50.92
Dipole, Da:	6.01
IP(EA), eV:	-8.99(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CC1=NC=CC(=N1)N2CCCN(CC2)S(=O)(=O)N3CCCC3

DOS

IR

Vibrations