Geometry & MOs

Info

ID:	158712
PubChem CID:	56465172
Reduced:	BrO3N4C22H27 (1)
Stoich.:	AB3C4D22E27 (1)
Weight, g/mol:	411.190654
ΔH_f, kcal/mol:	-41.41
Dipole, Da:	2.4
IP(EA), eV:	-9.71(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide

Drug info:

PubChemData

Smile

CC(C)C(C1=NC(=NO1)C2CC2)NC(=O)C3CCN(CC3)C(=O)C4=CC=C(C=C4)Br

DOS

IR

Vibrations