Geometry & MOs

Info

ID:	60127
PubChem CID:	26675724
Reduced:	BrSN4O4H19C20 (1)
Stoich.:	ABC4D4E19F20 (1)
Weight, g/mol:	450.9354
ΔH_f, kcal/mol:	-96.64
Dipole, Da:	6.29
IP(EA), eV:	-9.46(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3C=NC4=C(C3=O)C=C(C=C4)Br

DOS

IR

Vibrations