Geometry & MOs

Info

ID:	177823
PubChem CID:	76237533
Reduced:	ClSN2F3O3H18C19 (1)
Stoich.:	ABC2D3E3F18G19 (1)
Weight, g/mol:	359.97457
ΔH_f, kcal/mol:	-232.75
Dipole, Da:	4.25
IP(EA), eV:	-9.86(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8-methylidene-4-oxoquinazolin-2-yl)methyl 5-bromofuran-2-carboxylate

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)S(=O)(=O)N)N(C)C(=O)C=CC2=CC(=C(C=C2)Cl)C(F)(F)F

DOS

IR

Vibrations