Geometry & MOs

Info

ID:

422808

PubChem CID:

135118450

Reduced:

SO6N7C33H41 (1)

Stoich.:

AB6C7D33E41 (1)

Weight, g/mol:

350.141262

ΔHf, kcal/mol:

-207.84

Dipole, Da:

3.88

IP(EA), eV:

 -9.56(-1.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[5-(methylsulfonylmethyl)pyridin-2-yl]pyrrolidin-3-ol

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](C(=O)N(CC(=O)NCCC[C@@H](C(=O)N[C@@H](C(=O)N1)C(C)C)NC(=O)C2=CC3=C(C=C2)N=CS3)C)CC4=CC=CC=C4

DOS

IR

Vibrations