Geometry & MOs

Info

ID:	28293
PubChem CID:	826846
Reduced:	ClN2O2C18H21 (1)
Stoich.:	AB2C2D18E21 (1)
Weight, g/mol:	330.124943
ΔH_f, kcal/mol:	-65.41
Dipole, Da:	5.36
IP(EA), eV:	-8.79(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (6S)-1,1,3,3,6-pentamethyl-2-oxo-5-thia-7,8-diazaspiro[3.4]octane-7,8-dicarboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)N2C(=O)C(=C(C2=O)Cl)N3CCCCCC3

DOS

IR

Vibrations