Geometry & MOs

Info

ID:	421222
PubChem CID:	135115614
Reduced:	SO2N5C16H21 (1)
Stoich.:	AB2C5D16E21 (1)
Weight, g/mol:	377.06192
ΔH_f, kcal/mol:	-0.32
Dipole, Da:	5.98
IP(EA), eV:	-9.16(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5R)-7-(4,5-dichloro-2-methylphenyl)sulfonyl-7-azaspiro[4.5]decan-4-ol

Drug info:

PubChemData

Smile

CC1=NN=C(S1)CN2CCCN(CC2)C(=O)C3=NC=CC(=C3)OC

DOS

IR

Vibrations