Geometry & MOs

Info

ID:	244780
PubChem CID:	99381455
Reduced:	SO2N9C17H27 (1)
Stoich.:	AB2C9D17E27 (1)
Weight, g/mol:	421.200842
ΔH_f, kcal/mol:	-17.63
Dipole, Da:	8.53
IP(EA), eV:	-8.32(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S)-1-[2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]acetyl]piperidin-2-yl]acetamide

Drug info:

PubChemData

Smile

CCNC1=NC2=NN=C(N2C(=N1)NCC)SCC(=O)N3CCCC[C@@H]3CC(=O)N

DOS

IR

Vibrations