Geometry & MOs

Info

ID:	420764
PubChem CID:	135114779
Reduced:	N2O4C17H24 (1)
Stoich.:	A2B4C17D24 (1)
Weight, g/mol:	301.080636
ΔH_f, kcal/mol:	-173.57
Dipole, Da:	2.95
IP(EA), eV:	-9.74(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5R)-7-thiophen-2-ylsulfonyl-7-azaspiro[4.5]decan-4-ol

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1)C(=O)N2CCC3(CC2)C[C@]([C@H](CO3)O)(C)O

DOS

IR

Vibrations