Geometry & MOs

Info

ID:	125500
PubChem CID:	50926820
Reduced:	SO4N6C24H28 (1)
Stoich.:	AB4C6D24E28 (1)
Weight, g/mol:	467.0593
ΔH_f, kcal/mol:	-84.42
Dipole, Da:	3.18
IP(EA), eV:	-8.61(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromophenyl)-2-[7-(4-methoxyphenyl)-5-methyl-3-oxo-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)NC(=O)CN2C=NC3=C(C2=O)SC(=N3)N4CCC(CC4)C(=O)NC5CC5

DOS

IR

Vibrations