Geometry & MOs

Info

ID:	158582
PubChem CID:	56464224
Reduced:	ON2C12H16 (2)
Stoich.:	AB2C12D16 (2)
Weight, g/mol:	443.185192
ΔH_f, kcal/mol:	-50.06
Dipole, Da:	5.05
IP(EA), eV:	-8.23(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-acetamido-5-methylphenyl)-2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC(CC(=O)NC(CN1CCN(CC1)C)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations