Geometry & MOs

Info

ID:	60123
PubChem CID:	26675720
Reduced:	SN2O6H20C22 (1)
Stoich.:	AB2C6D20E22 (1)
Weight, g/mol:	450.9354
ΔH_f, kcal/mol:	-83.83
Dipole, Da:	5.63
IP(EA), eV:	-8.34(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-3-methylphenyl)-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide

Drug info:

PubChemData

Smile

CN(C1=CC=C(C=C1)OCC2=NOC(=C2)C3=CC=CO3)S(=O)(=O)C4=CC=C(C=C4)OC

DOS

IR

Vibrations