Geometry & MOs

Info

ID:	416867
PubChem CID:	135090619
Reduced:	O3N4C17H22 (1)
Stoich.:	A3B4C17D22 (1)
Weight, g/mol:	381.106851
ΔH_f, kcal/mol:	-56.17
Dipole, Da:	2.67
IP(EA), eV:	-8.94(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(1-benzothiophen-2-ylsulfonyl)-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-ol

Drug info:

PubChemData

Smile

CN(C)CCN(CC1=CN=CN1)C(=O)C2=CC3=C(C=C2)OCCO3

DOS

IR

Vibrations