Geometry & MOs

Info

ID:	417475
PubChem CID:	135095256
Reduced:	N2S2O5C15H24 (1)
Stoich.:	A2B2C5D15E24 (1)
Weight, g/mol:	287.17461
ΔH_f, kcal/mol:	-190.6
Dipole, Da:	3.58
IP(EA), eV:	-9.74(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-(5,6-dimethylpyrimidin-4-yl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)S(=O)(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C

DOS

IR

Vibrations