Geometry & MOs

Info

ID:	422809
PubChem CID:	135118451
Reduced:	SO3N4C16H22 (1)
Stoich.:	AB3C4D16E22 (1)
Weight, g/mol:	322.225643
ΔH_f, kcal/mol:	-75.98
Dipole, Da:	8.69
IP(EA), eV:	-8.5(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-3-oxopropyl]azepan-2-one

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@@H]2O)C3=NC=C(C=C3)CS(=O)(=O)C

DOS

IR

Vibrations