Geometry & MOs

Info

ID:

383040

PubChem CID:

134974537

Reduced:

N5O14C40H47 (1)

Stoich.:

A5B14C40D47 (1)

Weight, g/mol:

777.322122

ΔHf, kcal/mol:

-544.82

Dipole, Da:

5.68

IP(EA), eV:

 -8.87(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl (3S)-4-[[1-[(2R,5S)-3,4-diacetyloxy-6-(acetyloxymethyl)-5-methyloxan-2-yl]triazol-4-yl]methylamino]-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxobutanoate

Drug info:

PubChemData

Smile

CC(=O)OCC1[C@H](C(C([C@@H](O1)N2C=C(N=N2)CNC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations