Geometry & MOs

Info

ID:	441562
PubChem CID:	135236196
Reduced:	F3N3O3H16C22 (1)
Stoich.:	A3B3C3D16E22 (1)
Weight, g/mol:	552.164283
ΔH_f, kcal/mol:	-132.91
Dipole, Da:	7.59
IP(EA), eV:	-9.08(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(2,4-difluorophenyl)-5-(piperidine-1-carbonyl)phenyl]-6-(methanesulfonamido)indole-2-carboxamide

Drug info:

PubChemData

Smile

C1C(N(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC(=C3)C4=CC=CC=C4C(F)(F)F)C(=O)N

DOS

IR

Vibrations