Geometry & MOs

Info

ID:	67618
PubChem CID:	46506827
Reduced:	O2S2N3C16H21 (1)
Stoich.:	A2B2C3D16E21 (1)
Weight, g/mol:	484.9942
ΔH_f, kcal/mol:	-47.45
Dipole, Da:	3.3
IP(EA), eV:	-8.91(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-2-fluorophenyl)-2-(6-chloro-2-oxo-4-phenylquinazolin-1-yl)acetamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC2(CC1)NC(=S)C(=N2)C3=CC=CS3

DOS

IR

Vibrations