Geometry & MOs

Info

ID:	362476
PubChem CID:	127307952
Reduced:	BrO2N5C16H20 (1)
Stoich.:	AB2C5D16E20 (1)
Weight, g/mol:	391.167811
ΔH_f, kcal/mol:	-27.03
Dipole, Da:	4.68
IP(EA), eV:	-9.32(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-[3-oxo-3-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC(C)C1=NN=C2N1CCN(C2)C(=O)CCN3C=C(C=CC3=O)Br

DOS

IR

Vibrations