Geometry & MOs

Info

ID:	416549
PubChem CID:	135089655
Reduced:	SO2N5C21H23 (1)
Stoich.:	AB2C5D21E23 (1)
Weight, g/mol:	316.153541
ΔH_f, kcal/mol:	-7.66
Dipole, Da:	5.76
IP(EA), eV:	-8.8(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-(2-methoxypyridin-4-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1)S(=O)(=O)N3CCCC4(C3)CCC5=CN=C(N=C45)N)N=CC=C2

DOS

IR

Vibrations