Geometry & MOs

Info

ID:	69011
PubChem CID:	46515521
Reduced:	SN2O5C26H26 (1)
Stoich.:	AB2C5D26E26 (1)
Weight, g/mol:	406.05282
ΔH_f, kcal/mol:	-131.48
Dipole, Da:	2.0
IP(EA), eV:	-8.83(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-bromo-2-hydroxy-3-methoxyphenyl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one

Drug info:

PubChemData

Smile

CC(=O)CCC1=CC=C(C=C1)OCC(CN2C=NC3=C(C2=O)SC(=C3)C4=CC=C(C=C4)OC)O

DOS

IR

Vibrations