Geometry & MOs

Info

ID:	43586
PubChem CID:	10321501
Reduced:	ClF2N3O5H14C20 (1)
Stoich.:	AB2C3D5E14F20 (1)
Weight, g/mol:	449.087744
ΔH_f, kcal/mol:	-207.67
Dipole, Da:	7.16
IP(EA), eV:	-8.98(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S,4S,5R,6S)-6-[2-(6-chloro-9H-carbazol-2-yl)propanoyloxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC(=O)C2=CC=CO2)NC(=O)NC(=O)C3=CC(=C(C=C3Cl)F)F

DOS

IR

Vibrations