Geometry & MOs

Info

ID:	447787
PubChem CID:	135285763
Reduced:	BrS2N4O4C14H19 (1)
Stoich.:	AB2C4D4E14F19 (1)
Weight, g/mol:	406.099871
ΔH_f, kcal/mol:	-103.29
Dipole, Da:	8.24
IP(EA), eV:	-9.43(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonyl-2-(hydroxymethyl)pyrrolidine-3,4-diol

Drug info:

PubChemData

Smile

CC1=NC(=CN1S(=O)(=O)N(C)C)CCNS(=O)(=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations