Geometry & MOs

Info

ID:	139147
PubChem CID:	52482787
Reduced:	N4O4H16C17 (1)
Stoich.:	A4B4C16D17 (1)
Weight, g/mol:	340.0245
ΔH_f, kcal/mol:	-26.96
Dipole, Da:	4.42
IP(EA), eV:	-8.41(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-2-butylsulfanyl-3-ethylquinazolin-4-one

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)COC(=O)C2=CC(=CC=C2)N3C=NN=N3

DOS

IR

Vibrations