Geometry & MOs

Info

ID:

319718

PubChem CID:

126657088

Reduced:

FPN3O9C22H29 (1)

Stoich.:

ABC3D9E22F29 (1)

Weight, g/mol:

712.256034

ΔHf, kcal/mol:

-481.94

Dipole, Da:

4.59

IP(EA), eV:

 -9.46(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

S-[2-[2-[2-[2-[3-[3-[2-[[[4-[(2-amino-2-oxoethyl)carbamoyl]-1,3-thiazol-2-yl]carbamoylamino]methyl]phenoxy]propylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl] ethanethioate

Drug info:

PubChemData

Smile

CC(C)C(C(=O)OC)NP(=O)(OC[C@@H]1[C@H]([C@@]([C@@H](O1)N2C=CC(=O)NC2=O)(C)F)O)OC3=CC=CC=C3

DOS

IR

Vibrations