Geometry & MOs

Info

ID:	217725
PubChem CID:	85088274
Reduced:	N2O5C21H32 (1)
Stoich.:	A2B5C21D32 (1)
Weight, g/mol:	392.165745
ΔH_f, kcal/mol:	-245.9
Dipole, Da:	4.74
IP(EA), eV:	-9.05(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-(3-methylbut-2-enyl)-2-[2-(4-methylphenyl)sulfinylethenyl]propanedioate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CN(C1=CC=CC=C1)C(=O)CCC(C(=O)OC(C)(C)C)N

DOS

IR

Vibrations