Geometry & MOs

Info

ID:	310626
PubChem CID:	126583939
Reduced:	N2O5C13H14 (1)
Stoich.:	A2B5C13D14 (1)
Weight, g/mol:	362.110042
ΔH_f, kcal/mol:	-115.71
Dipole, Da:	13.23
IP(EA), eV:	-9.07(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-[4-(6-fluoro-2,3-dihydro-1H-indol-3-yl)phenyl]sulfonylpyrrolidin-3-ol

Drug info:

PubChemData

Smile

CC1=C(C2=C(N1C)C=CC(=C2[N+](=O)[O-])O)CCC(=O)O

DOS

IR

Vibrations