Geometry & MOs

Info

ID:	417132
PubChem CID:	135091414
Reduced:	NSO3C7H11 (2)
Stoich.:	ABC3D7E11 (2)
Weight, g/mol:	263.199762
ΔH_f, kcal/mol:	-223.41
Dipole, Da:	3.55
IP(EA), eV:	-9.61(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-(4-methylpentyl)-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NS(=O)(=O)C2=CC=C(C=C2)OC

DOS

IR

Vibrations