Geometry & MOs

Info

ID:	224387
PubChem CID:	85342361
Reduced:	SO6C20H28 (1)
Stoich.:	AB6C20D28 (1)
Weight, g/mol:	400.182064
ΔH_f, kcal/mol:	-261.33
Dipole, Da:	5.38
IP(EA), eV:	-10.13(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[(5-ethyl-4-naphthalen-1-yl-6-oxo-1,3-diazinan-2-yl)sulfanyl]butanoate

Drug info:

PubChemData

Smile

CCOC(=O)C(C)CCC(CC(=O)C(=CCS(=O)(=O)C1=CC=CC=C1)C)O

DOS

IR

Vibrations