Geometry & MOs

Info

ID:	55425
PubChem CID:	17395385
Reduced:	BrN2O3H13C17 (1)
Stoich.:	AB2C3D13E17 (1)
Weight, g/mol:	334.017891
ΔH_f, kcal/mol:	-57.03
Dipole, Da:	6.83
IP(EA), eV:	-9.11(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8-methyl-4-oxo-1H-quinazolin-2-yl)methyl 5-chlorothiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C(=O)N=C(N2)COC(=O)C3=CC=C(C=C3)Br

DOS

IR

Vibrations