Geometry & MOs

Info

ID:	33443
PubChem CID:	7886488
Reduced:	OF2S2N3H15C18 (1)
Stoich.:	AB2C2D3E15F18 (1)
Weight, g/mol:	371.02694
ΔH_f, kcal/mol:	-63.29
Dipole, Da:	4.58
IP(EA), eV:	-8.92(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C3=C(S2)N=CN=C3SCC(=O)NC4=C(C=CC=C4F)F

DOS

IR

Vibrations