Geometry & MOs

Info

ID:	40202
PubChem CID:	8143745
Reduced:	OSN5C21H21 (1)
Stoich.:	ABC5D21E21 (1)
Weight, g/mol:	246.042276
ΔH_f, kcal/mol:	67.01
Dipole, Da:	3.01
IP(EA), eV:	-8.43(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-(2-hydroxyethyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N4C2=NN(C4=S)CN5CCCC5

DOS

IR

Vibrations