Geometry & MOs

Info

ID:	443121
PubChem CID:	135257771
Reduced:	N2O3F4H26C28 (1)
Stoich.:	A2B3C4D26E28 (1)
Weight, g/mol:	583.136432
ΔH_f, kcal/mol:	-260.81
Dipole, Da:	6.12
IP(EA), eV:	-9.74(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-cyclohexylpyridin-2-yl)methyl-[2-[(2,3,4,5,6-pentafluorophenyl)sulfanylamino]acetyl]amino]-3-fluorobenzoic acid

Drug info:

PubChemData

Smile

C1CCC(CC1)C2=CN=C(C=C2)CN(C3=CC(=C(C=C3)C(=O)OCC4=CC=CC=C4)F)C(=O)C(F)(F)F

DOS

IR

Vibrations