Geometry & MOs

Info

ID:

229511

PubChem CID:

87567896

Reduced:

PSF2N2O10C27H37 (1)

Stoich.:

ABC2D2E10F27G37 (1)

Weight, g/mol:

433.147156

ΔHf, kcal/mol:

-575.98

Dipole, Da:

1.82

IP(EA), eV:

 -9.24(-0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[4-[6-[1-(2-fluorophenyl)-2-methoxy-2-oxoethyl]-4-sulfanyl-1-azabicyclo[3.1.1]heptan-6-yl]pyrazol-1-yl]propanoic acid

Drug info:

PubChemData

Smile

CCC(C)OP(=O)(C(C1=CC=C(C=C1)CC(C(=O)NCCCCOC2=CC=CC(=C2C(=O)OC)O)NS(=O)(=O)C)(F)F)O

DOS

IR

Vibrations