Geometry & MOs

Info

ID:	191700
PubChem CID:	78179525
Reduced:	N2O2H12C15 (1)
Stoich.:	A2B2C12D15 (1)
Weight, g/mol:	440.13657
ΔH_f, kcal/mol:	20.18
Dipole, Da:	5.89
IP(EA), eV:	-9.14(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(6-benzylsulfanyl-3,5-dioxo-1,2,4-triazinan-2-yl)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NC(=O)C3C=CC=CC3=N2

DOS

IR

Vibrations