Geometry & MOs

Info

ID:

394245

PubChem CID:

135022623

Reduced:

OH22C25 (1)

Stoich.:

AB22C25 (1)

Weight, g/mol:

946.466284

ΔHf, kcal/mol:

52.18

Dipole, Da:

0.69

IP(EA), eV:

 -8.68(0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[(4-methylphenyl)methoxy]phenyl]methyl (2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-3-tert-butylsulfanylpropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

CC1=CC(=C(O1)C)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations