Geometry & MOs

Info

ID:

383028

PubChem CID:

134974518

Reduced:

SN5O6C34H43 (1)

Stoich.:

AB5C6D34E43 (1)

Weight, g/mol:

578.256292

ΔHf, kcal/mol:

-206.27

Dipole, Da:

4.46

IP(EA), eV:

 -8.8(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[4-[[(2S)-oxan-2-yl]sulfanylmethyl]triazol-1-yl]butanoate

Drug info:

PubChemData

Smile

CCS[C@H]1CCCC(O1)CN2C=C(N=N2)CNC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

DOS

IR

Vibrations