Geometry & MOs

Info

ID:	244779
PubChem CID:	99381454
Reduced:	N3O3C20H31 (1)
Stoich.:	A3B3C20D31 (1)
Weight, g/mol:	421.200842
ΔH_f, kcal/mol:	-132.25
Dipole, Da:	5.31
IP(EA), eV:	-9.01(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R)-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

CCN(CC)CCOC1=CC=C(C=C1)C(=O)N2CCCC[C@H]2CC(=O)N

DOS

IR

Vibrations