Geometry & MOs

Info

ID:	419571
PubChem CID:	135108428
Reduced:	NSO5C17H23 (1)
Stoich.:	ABC5D17E23 (1)
Weight, g/mol:	345.216475
ΔH_f, kcal/mol:	-190.23
Dipole, Da:	10.09
IP(EA), eV:	-9.74(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-(2-oxa-8-azaspiro[4.5]decan-3-ylmethylamino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CC[C@@H]([C@@](C2)(CC3CC3)C(=O)O)O

DOS

IR

Vibrations