Geometry & MOs

Info

ID:	141594
PubChem CID:	52900364
Reduced:	BrN2O3C15H19 (1)
Stoich.:	AB2C3D15E19 (1)
Weight, g/mol:	394.109962
ΔH_f, kcal/mol:	-91.15
Dipole, Da:	3.31
IP(EA), eV:	-9.53(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R)-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-N-(1,3-thiazol-2-yl)acetamide

Drug info:

PubChemData

Smile

C1CC(C1)C(=O)N2CCC(CC2)NC(=O)C3=CC=C(O3)Br

DOS

IR

Vibrations