Geometry & MOs

Info

ID:	216213
PubChem CID:	85085898
Reduced:	OSN2C13H14 (1)
Stoich.:	ABC2D13E14 (1)
Weight, g/mol:	242.151809
ΔH_f, kcal/mol:	3.42
Dipole, Da:	4.75
IP(EA), eV:	-8.76(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 6,6-dimethylhept-2-enedioate

Drug info:

PubChemData

Smile

CC1NC2C=C(SC2C(=O)N1)C3=CC=CC=C3

DOS

IR

Vibrations