Geometry & MOs

Info

ID:	68402
PubChem CID:	46508346
Reduced:	F3O3N5C17H22 (1)
Stoich.:	A3B3C5D17E22 (1)
Weight, g/mol:	480.102289
ΔH_f, kcal/mol:	-244.89
Dipole, Da:	10.85
IP(EA), eV:	-10.32(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-acetamido-3-chloroanilino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NC2=NC(=NN12)C(F)(F)F)C)CC(=O)OC(C)C(=O)NC(C)(C)C

DOS

IR

Vibrations