Geometry & MOs

Info

ID:	162641
PubChem CID:	57410890
Reduced:	SN2O2H16C19 (1)
Stoich.:	AB2C2D16E19 (1)
Weight, g/mol:	264.099774
ΔH_f, kcal/mol:	32.41
Dipole, Da:	7.15
IP(EA), eV:	-9.6(-1.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-(2,3-dimethylbenzoyl)propanedioate

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CC(=C(C=C2)C#CC3CCCC3)C#N)C(=O)O

DOS

IR

Vibrations