Geometry & MOs

Info

ID:	165354
PubChem CID:	74536563
Reduced:	SN3O5C19H21 (1)
Stoich.:	AB3C5D19E21 (1)
Weight, g/mol:	491.118478
ΔH_f, kcal/mol:	-105.85
Dipole, Da:	7.91
IP(EA), eV:	-9.61(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-acetylphenyl)-2-[[5-(4-ethoxyphenyl)sulfonyl-4-oxo-1,3-diazinan-2-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1C=CC2=NC(=O)C=C(C2=C1)C(=O)NCC3=CC=CO3

DOS

IR

Vibrations