Geometry & MOs

Info

ID:

398592

PubChem CID:

135034131

Reduced:

O7C39H44 (1)

Stoich.:

A7B39C44 (1)

Weight, g/mol:

556.260708

ΔHf, kcal/mol:

-210.24

Dipole, Da:

4.8

IP(EA), eV:

 -9.21(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl (2R,3R)-2-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-sulfanylpropanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]butanoate

Drug info:

PubChemData

Smile

CC(C)CCO[C@H]1C(C([C@@H](C(O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OC(=O)C5=CC=CC=C5

DOS

IR

Vibrations