Geometry & MOs

Info

ID:	422537
PubChem CID:	135118006
Reduced:	SO3N5C14H23 (1)
Stoich.:	AB3C5D14E23 (1)
Weight, g/mol:	363.150429
ΔH_f, kcal/mol:	-76.94
Dipole, Da:	6.21
IP(EA), eV:	-8.88(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)-2-(4-methylsulfonylphenyl)ethanone

Drug info:

PubChemData

Smile

CC(C)N1CCNC(=O)C1CC(=O)NCC2=NC(=NO2)CSC

DOS

IR

Vibrations