Geometry & MOs

Info

ID:	422317
PubChem CID:	135117628
Reduced:	SO2N4C19H24 (1)
Stoich.:	AB2C4D19E24 (1)
Weight, g/mol:	321.149557
ΔH_f, kcal/mol:	-37.81
Dipole, Da:	7.19
IP(EA), eV:	-8.62(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenyl)-1-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]ethanone

Drug info:

PubChemData

Smile

CC1=NC=C2CCC3(C2=N1)CCCN(C3)C4=NC=C(C=C4)CS(=O)(=O)C

DOS

IR

Vibrations