Geometry & MOs

Info

ID:	177939
PubChem CID:	76254643
Reduced:	BrNF2O4H16C17 (1)
Stoich.:	ABC2D4E16F17 (1)
Weight, g/mol:	384.14337
ΔH_f, kcal/mol:	-167.27
Dipole, Da:	6.68
IP(EA), eV:	-8.93(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl] 4-(4-oxo-4aH-quinazolin-2-yl)butanoate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Br)CON=CC2=CC(=C(C=C2)OC(F)F)OC

DOS

IR

Vibrations