Geometry & MOs

Info

ID:	44830
PubChem CID:	10506077
Reduced:	SN3O6C26H35 (1)
Stoich.:	AB3C6D26E35 (1)
Weight, g/mol:	517.249605
ΔH_f, kcal/mol:	-211.31
Dipole, Da:	4.98
IP(EA), eV:	-9.24(-0.21)
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-dihexylacetamide

Drug info:

PubChemData

Smile

CCOC(=O)N1[C@H]([C@@H](C=N1)CCOCC2=CC=CC=C2)C(=O)N3[C@@H]4C[C@H]5CC[C@@]4(C5(C)C)CS3(=O)=O

DOS

IR

Vibrations