Geometry & MOs

Info

ID:	366910
PubChem CID:	127321835
Reduced:	N2S2O3C17H24 (1)
Stoich.:	A2B2C3D17E24 (1)
Weight, g/mol:	366.205576
ΔH_f, kcal/mol:	-97.93
Dipole, Da:	7.9
IP(EA), eV:	-9.32(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-azaspiro[5.5]undec-9-en-2-yl-[1-(4-methoxyphenyl)-5-methyltriazol-4-yl]methanone

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCC2(C1)CCC=CC2)NS(=O)(=O)C3=CC=CS3

DOS

IR

Vibrations