Geometry & MOs

Info

ID:	136761
PubChem CID:	52096276
Reduced:	SN4O4H16C24 (1)
Stoich.:	AB4C4D16E24 (1)
Weight, g/mol:	473.24269
ΔH_f, kcal/mol:	33.47
Dipole, Da:	4.73
IP(EA), eV:	-9.24(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-N-[2-[[1-(2-methylpropyl)-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methoxy]phenyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)OC2=CC=CC(=C2)/C=C\3/C(=N)N4C(=NC3=O)SC(=N4)C5=CC=CO5

DOS

IR

Vibrations