Geometry & MOs

Info

ID:

415128

PubChem CID:

135088114

Reduced:

SF2N7O7C36H43 (1)

Stoich.:

AB2C7D7E36F43 (1)

Weight, g/mol:

283.13322

ΔHf, kcal/mol:

-345.07

Dipole, Da:

7.98

IP(EA), eV:

 -9.02(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,4S)-1-(5-fluoropyrimidin-2-yl)-3-hydroxy-4-propylpiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N(CCN(CC(=O)N[C@H](C2=NC(=CS2)C(=O)N1)CC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)OC(F)F)C)C)C(C)C

DOS

IR

Vibrations