Geometry & MOs

Info

ID:	305439
PubChem CID:	124807256
Reduced:	SN3O3C16H21 (1)
Stoich.:	AB3C3D16E21 (1)
Weight, g/mol:	385.146013
ΔH_f, kcal/mol:	-80.37
Dipole, Da:	5.65
IP(EA), eV:	-9.62(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S)-5-(3-methylphenyl)sulfonyl-N-(pyridin-4-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide

Drug info:

PubChemData

Smile

C1CC(=O)N([C@H]2[C@@H]1N(CC2)S(=O)(=O)C3CC3)CC4=CN=CC=C4

DOS

IR

Vibrations