Geometry & MOs

Info

ID:	158295
PubChem CID:	56463312
Reduced:	OS2N5C21H27 (1)
Stoich.:	AB2C5D21E27 (1)
Weight, g/mol:	498.263777
ΔH_f, kcal/mol:	38.48
Dipole, Da:	6.37
IP(EA), eV:	-8.21(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCN(CC1)CC(C2=CC=CC=C2)NC(=O)C3=CC4=C(S3)N=C(S4)N(C)C

DOS

IR

Vibrations