Geometry & MOs

Info

ID:	418239
PubChem CID:	135103929
Reduced:	SN2O3C18H24 (1)
Stoich.:	AB2C3D18E24 (1)
Weight, g/mol:	315.169525
ΔH_f, kcal/mol:	-93.8
Dipole, Da:	5.55
IP(EA), eV:	-9.35(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3S,4R)-3-hydroxy-4-(pyridin-2-ylmethyl)pyrrolidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide

Drug info:

PubChemData

Smile

CC(C)CS(=O)(=O)N[C@H]1COC[C@H]1CC2=CC=NC3=CC=CC=C23

DOS

IR

Vibrations