Geometry & MOs

Info

ID:	36545
PubChem CID:	8008211
Reduced:	SF3N4O4C30H31 (1)
Stoich.:	AB3C4D4E30F31 (1)
Weight, g/mol:	395.00313
ΔH_f, kcal/mol:	-229.11
Dipole, Da:	6.24
IP(EA), eV:	-8.78(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(3E)-3-[(3-bromophenyl)methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC2=C1CC[C@@H](C2)C(C)(C)C)NC(=O)C3=NN4C(=CC(=NC4=C3)C5=CC=C(C=C5)OC)C(F)(F)F

DOS

IR

Vibrations