Geometry & MOs

Info

ID:	144371
PubChem CID:	53357764
Reduced:	ClFO4N6H22C24 (1)
Stoich.:	ABC4D6E22F24 (1)
Weight, g/mol:	378.176585
ΔH_f, kcal/mol:	-93.3
Dipole, Da:	4.75
IP(EA), eV:	-8.7(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,5-dimethyl-1-propylindol-3-yl)-(6-propylthieno[2,3-b]pyrrol-5-yl)methanone

Drug info:

PubChemData

Smile

COCCC(=O)NCC1=COC(=N1)C2=C(N=CN=C2NC3=CC(=C(C=C3)OC4=CC=CC=C4F)Cl)N

DOS

IR

Vibrations