Geometry & MOs

Info

ID:	33485
PubChem CID:	7886699
Reduced:	OS2N4C17H20 (1)
Stoich.:	AB2C4D17E20 (1)
Weight, g/mol:	404.98797
ΔH_f, kcal/mol:	22.62
Dipole, Da:	3.65
IP(EA), eV:	-8.94(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-bromo-4-oxoquinazolin-3-yl)-N-[(3-chlorophenyl)methyl]acetamide

Drug info:

PubChemData

Smile

CC(C)[C@](C)(C#N)NC(=O)CSC1=NC=NC2=C1C3=C(S2)CCC3

DOS

IR

Vibrations