Geometry & MOs

Info

ID:	443130
PubChem CID:	135257783
Reduced:	N2O3C27H30 (1)
Stoich.:	A2B3C27D30 (1)
Weight, g/mol:	600.115362
ΔH_f, kcal/mol:	-65.28
Dipole, Da:	2.77
IP(EA), eV:	-8.73(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-2-hydroxy-4-[[4-(oxan-4-yl)phenyl]methyl-[2-[(2,3,4,5,6-pentafluorophenyl)sulfanylamino]acetyl]amino]benzoic acid

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=C(C=C1)NCC2=CN=C(C=C2)C3CCCCC3)OCC4=CC=CC=C4

DOS

IR

Vibrations