Geometry & MOs

Info

ID:

229097

PubChem CID:

87566946

Reduced:

PF2N2O9C31H35 (1)

Stoich.:

AB2C2D9E31F35 (1)

Weight, g/mol:

529.215904

ΔHf, kcal/mol:

-488.78

Dipole, Da:

3.97

IP(EA), eV:

 -9.27(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 4-[5-[(Z)-[4-acetylsulfanyl-1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]piperidin-3-ylidene]methyl]tetrazol-1-yl]butanoate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)OCCCCNC(=O)[C@H](CC2=CC=C(C=C2)OP(=O)(C(F)F)O)NC(=O)OCC3=CC=CC=C3)C(=O)OC

DOS

IR

Vibrations