Geometry & MOs

Info

ID:	60126
PubChem CID:	26675723
Reduced:	BrO2N3F6H10C18 (1)
Stoich.:	AB2C3D6E10F18 (1)
Weight, g/mol:	490.03104
ΔH_f, kcal/mol:	-335.12
Dipole, Da:	5.63
IP(EA), eV:	-9.85(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1Br)C(=O)N(C=N2)CC(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations