Geometry & MOs

Info

ID:

383029

PubChem CID:

134974519

Reduced:

SN4O5C31H38 (1)

Stoich.:

AB4C5D31E38 (1)

Weight, g/mol:

575.274384

ΔHf, kcal/mol:

-157.48

Dipole, Da:

2.3

IP(EA), eV:

 -8.72(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[[1-[(2R)-oxan-2-yl]triazol-4-yl]methylamino]-4-oxobutanoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C[C@@H](CN1C=C(N=N1)CS[C@H]2CCCCO2)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

DOS

IR

Vibrations