Geometry & MOs

Info

ID:	191764
PubChem CID:	78185883
Reduced:	OC3H4 (6)
Stoich.:	AB3C4 (6)
Weight, g/mol:	416.213364
ΔH_f, kcal/mol:	-184.1
Dipole, Da:	1.66
IP(EA), eV:	-9.98(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,2-diethoxyethylsulfanyl)-5-ethyl-6-(naphthalen-1-ylmethyl)-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CC1CCCC2(C1)C(OC(OO2)C3=CC=C(C=C3)C(=O)OC)OC

DOS

IR

Vibrations