Geometry & MOs

Info

ID:

150497

PubChem CID:

53790189

Reduced:

N5O8C45H51 (1)

Stoich.:

A5B8C45D51 (1)

Weight, g/mol:

789.373764

ΔHf, kcal/mol:

-255.52

Dipole, Da:

5.55

IP(EA), eV:

 -8.36(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-[[(2R)-1-oxo-1-[[(2S)-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@H](C=O)NC(=O)[C@@H](CC1=CC=C(C=C1)OCC2=CC=CC=C2)NC(=O)[C@H](COCC3=CC=CC=C3)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)NC(=O)OC(C)(C)C

DOS

IR

Vibrations