Geometry & MOs

Info

ID:	33459
PubChem CID:	7886602
Reduced:	BrOSN3H10C16 (1)
Stoich.:	ABCD3E10F16 (1)
Weight, g/mol:	337.04259
ΔH_f, kcal/mol:	55.24
Dipole, Da:	3.27
IP(EA), eV:	-9.36(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-bromo-4-oxoquinazolin-3-yl)-N-tert-butylacetamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(S2)CN3C=NC4=C(C3=O)C=C(C=C4)Br

DOS

IR

Vibrations