Geometry & MOs

Info

ID:	443091
PubChem CID:	135257663
Reduced:	SN3O3F5H26C28 (1)
Stoich.:	AB3C3D5E26F28 (1)
Weight, g/mol:	582.141183
ΔH_f, kcal/mol:	-246.6
Dipole, Da:	3.43
IP(EA), eV:	-9.35(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)C2=CC=C(C=C2)CN(C3=CC=C(C=C3)C(=O)NO)C(=O)CNSC4=C(C(=C(C(=C4F)F)F)F)F

DOS

IR

Vibrations