Geometry & MOs

Info

ID:	309397
PubChem CID:	126545984
Reduced:	Cl2F2O3N10C33H36 (1)
Stoich.:	A2B2C3D10E33F36 (1)
Weight, g/mol:	565.27695
ΔH_f, kcal/mol:	-99.17
Dipole, Da:	4.53
IP(EA), eV:	-8.36(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-3-[(Z)-but-2-enylidene]-2-methyl-1-phenyl-5,7-bis(2-phenylphenyl)-2H-indole

Drug info:

PubChemData

Smile

C1CCC(C2=CC(=CC=C2)NC(C(=O)NCC1)CCNC(=O)C3=NN(C=C3)C(F)F)N4C=NC(=CC4=O)C5=C(C=CC(=C5)Cl)N(/C=C(\N)/Cl)N

DOS

IR

Vibrations