Geometry & MOs

Info

ID:	423361
PubChem CID:	135119368
Reduced:	SN3O4C17H27 (1)
Stoich.:	AB3C4D17E27 (1)
Weight, g/mol:	286.179361
ΔH_f, kcal/mol:	-146.44
Dipole, Da:	4.35
IP(EA), eV:	-9.82(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCC1CCN(CC1)S(=O)(=O)N[C@@H]2COC[C@H]2CC3=CC=NC=C3

DOS

IR

Vibrations