Geometry & MOs

Info

ID:	422257
PubChem CID:	135117519
Reduced:	OSN4C20H22 (1)
Stoich.:	ABC4D20E22 (1)
Weight, g/mol:	367.145344
ΔH_f, kcal/mol:	56.12
Dipole, Da:	4.49
IP(EA), eV:	-8.52(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5R)-7-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-7-azaspiro[4.5]decan-4-ol

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)SC2CCN(CC2)CC3=NN=C(O3)C4=CN=CC=C4

DOS

IR

Vibrations