Geometry & MOs

Info

ID:	171975
PubChem CID:	75449191
Reduced:	SO2N3H17C18 (1)
Stoich.:	AB2C3D17E18 (1)
Weight, g/mol:	440.07356
ΔH_f, kcal/mol:	12.5
Dipole, Da:	3.57
IP(EA), eV:	-9.59(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7-bromo-1,2,3,4-tetrahydronaphthalen-1-yl) 4-(4-oxo-1H-quinazolin-2-yl)butanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCS(=O)(=O)NC2=CN=CN=C2C3=CC=CC=C3

DOS

IR

Vibrations