Geometry & MOs

Info

ID:

424642

PubChem CID:

135123464

Reduced:

SF2O3N5H21C22 (1)

Stoich.:

AB2C3D5E21F22 (1)

Weight, g/mol:

620.230471

ΔHf, kcal/mol:

-135.35

Dipole, Da:

2.23

IP(EA), eV:

 -8.65(-1.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[benzenesulfonyl-[[5-[(1R)-2-carboxy-1-[(1-ethyltriazol-4-yl)methoxy]-2-methylpropyl]-2-methylphenyl]methyl]amino]methyl]benzoic acid

Drug info:

PubChemData

Smile

C1CCC2(C1)C3=C(C(=CC(=C3)NS(=O)(=O)C4=C(C=C(C=C4)F)F)NCC5=CN=CN5)NC2=O

DOS

IR

Vibrations