Geometry & MOs

Info

ID:	138930
PubChem CID:	52445484
Reduced:	SCl2N2C14H18 (1)
Stoich.:	AB2C2D14E18 (1)
Weight, g/mol:	434.97472
ΔH_f, kcal/mol:	23.39
Dipole, Da:	4.05
IP(EA), eV:	-8.67(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-bromo-4-[(Z)-2-chloro-2-(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)ethenyl]phenolate

Drug info:

PubChemData

Smile

CCCN(CC1CC1)C(=S)NC2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations