Geometry & MOs

Info

ID:

150496

PubChem CID:

53790188

Reduced:

O2H3C7F13 (1)

Stoich.:

A2B3C7D13 (1)

Weight, g/mol:

789.373764

ΔHf, kcal/mol:

-753.03

Dipole, Da:

2.5

IP(EA), eV:

-11.68(-1.02)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

tert-butyl N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-[[(2S)-1-oxo-1-[[(2R)-1-oxo-1-[[(2R)-1-oxopropan-2-yl]amino]-3-(4-phenylmethoxyphenyl)propan-2-yl]amino]-3-phenylmethoxypropan-2-yl]amino]propan-2-yl]carbamate

Drug info:

PubChemData

Smile

C(C(C(F)(F)F)(OC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)F)O

DOS

IR

Vibrations