Geometry & MOs

Info

ID:	443094
PubChem CID:	135257666
Reduced:	N2O4C27H28 (1)
Stoich.:	A2B4C27D28 (1)
Weight, g/mol:	654.182299
ΔH_f, kcal/mol:	-94.43
Dipole, Da:	2.53
IP(EA), eV:	-9.22(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-cyclohexylphenyl)methyl-[(2R)-2-[methyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]butanoyl]amino]-2-hydroxybenzoic acid

Drug info:

PubChemData

Smile

CN(C1=CC(=C(C=C1)C(=O)OCC2=CC=CC=C2)OCC3=CC=CC=C3)C(=O)[C@H]4CCCN4

DOS

IR

Vibrations