Geometry & MOs

Info

ID:	121712
PubChem CID:	50778527
Reduced:	ON6C18H24 (1)
Stoich.:	AB6C18D24 (1)
Weight, g/mol:	403.146681
ΔH_f, kcal/mol:	36.69
Dipole, Da:	10.7
IP(EA), eV:	-9.13(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(5-ethyl-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]-2-phenylacetamide

Drug info:

PubChemData

Smile

C1CCC(CC1)C(=O)NC2=C(C=CC(=C2)N3C=NN=N3)N4CCCC4

DOS

IR

Vibrations