Geometry & MOs

Info

ID:	122610
PubChem CID:	50814462
Reduced:	SO2N5C19H21 (1)
Stoich.:	AB2C5D19E21 (1)
Weight, g/mol:	376.117155
ΔH_f, kcal/mol:	28.49
Dipole, Da:	4.52
IP(EA), eV:	-8.94(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-N-[2-(4-methylphenyl)-5-oxo-[1,3,4]oxadiazolo[3,2-a]pyrimidin-6-yl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC(=NO2)CN3CCC(CC3)C(=O)NC4=NC=CS4

DOS

IR

Vibrations