Geometry & MOs

Info

ID:	60124
PubChem CID:	26675721
Reduced:	Br2O2N3H13C17 (1)
Stoich.:	A2B2C3D13E17 (1)
Weight, g/mol:	454.91033
ΔH_f, kcal/mol:	-19.23
Dipole, Da:	2.56
IP(EA), eV:	-9.2(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)CN2C=NC3=C(C2=O)C=C(C=C3)Br)Br

DOS

IR

Vibrations