Geometry & MOs

Info

ID:	415576
PubChem CID:	135088572
Reduced:	SO2N4C18H20 (1)
Stoich.:	AB2C4D18E20 (1)
Weight, g/mol:	323.124547
ΔH_f, kcal/mol:	8.13
Dipole, Da:	3.21
IP(EA), eV:	-8.66(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-4-(pyridin-2-ylmethyl)-1-[4-(trifluoromethyl)pyridin-2-yl]pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CN1C=CN2C1=C(C=N2)C(=O)N3CCC4(CC3)C5=C(CCO4)SC=C5

DOS

IR

Vibrations