Geometry & MOs

Info

ID:	143622
PubChem CID:	53236264
Reduced:	ClOSN2H11C16 (1)
Stoich.:	ABCD2E11F16 (1)
Weight, g/mol:	341.92292
ΔH_f, kcal/mol:	20.39
Dipole, Da:	7.33
IP(EA), eV:	-8.87(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bromothiophen-3-yl)-6-chloro-2,3-dihydro-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C(S2)C3NC4=C(C=C(C=C4)Cl)C(=O)N3

DOS

IR

Vibrations