Geometry & MOs

Info

ID:	242834
PubChem CID:	99213271
Reduced:	ClSO3N4C22H23 (1)
Stoich.:	ABC3D4E22F23 (1)
Weight, g/mol:	474.95054
ΔH_f, kcal/mol:	-52.9
Dipole, Da:	4.17
IP(EA), eV:	-9.42(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-bromo-4-oxoquinazolin-3-yl)-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]acetamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@H](CC1=CC=CC=C1)C(=O)NC2=NN=C(S2)C3=CC=CC=C3Cl

DOS

IR

Vibrations