Geometry & MOs

Info

ID:	310692
PubChem CID:	126584329
Reduced:	N3O4C13H15 (1)
Stoich.:	A3B4C13D15 (1)
Weight, g/mol:	462.153718
ΔH_f, kcal/mol:	-77.44
Dipole, Da:	4.01
IP(EA), eV:	-8.61(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(6-fluoro-1H-indol-3-yl)-N-[3-[(4S)-3-fluoro-4-(methylamino)pyrrolidin-1-yl]-3-oxopropyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=CC(=C2N1C)[N+](=O)[O-])N)CCC(=O)O

DOS

IR

Vibrations