Geometry & MOs

Info

ID:	46736
PubChem CID:	10526809
Reduced:	BrClSN4H14C18 (1)
Stoich.:	ABCD4E14F18 (1)
Weight, g/mol:	433.155705
ΔH_f, kcal/mol:	136.86
Dipole, Da:	6.63
IP(EA), eV:	-9.1(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-[2-(4-chlorophenyl)-1-oxopyrrolo[3,4-b]quinolin-3-ylidene]-N,N-dipropylacetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC2=NN=C3N2NC(S3)/C=C(/C4=CC=C(C=C4)Br)\Cl

DOS

IR

Vibrations