Geometry & MOs

Info

ID:	417899
PubChem CID:	135103032
Reduced:	SO2N3C19H23 (1)
Stoich.:	AB2C3D19E23 (1)
Weight, g/mol:	336.241293
ΔH_f, kcal/mol:	-29.17
Dipole, Da:	6.91
IP(EA), eV:	-8.5(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(azepan-1-yl)-4-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]butane-1,4-dione

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=NC(=CC=C1)N2CCC3(CC2)C4=C(CCO3)C=CS4

DOS

IR

Vibrations