Geometry & MOs

Info

ID:	33462
PubChem CID:	7886612
Reduced:	OSN2H8C9 (2)
Stoich.:	ABC2D8E9 (2)
Weight, g/mol:	389.01752
ΔH_f, kcal/mol:	21.33
Dipole, Da:	2.64
IP(EA), eV:	-8.82(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC2=C(C1)SC3=C2C(=NC=N3)SCC(=O)NNC(=O)C4=CC=CC=C4

DOS

IR

Vibrations