Geometry & MOs

Info

ID:	237563
PubChem CID:	92719760
Reduced:	SO4N5C25H29 (1)
Stoich.:	AB4C5D25E29 (1)
Weight, g/mol:	424.211055
ΔH_f, kcal/mol:	-111.09
Dipole, Da:	8.01
IP(EA), eV:	-9.08(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[(3R)-1-(3-phenoxypyrazin-2-yl)piperidin-3-yl]methanone

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)NC(=O)[C@@H]4CCCN(C4)S(=O)(=O)N5CCCC5

DOS

IR

Vibrations