Geometry & MOs

Info

ID:

161086

PubChem CID:

57390718

Reduced:

FO2N6C28H29 (1)

Stoich.:

AB2C6D28E29 (1)

Weight, g/mol:

815.31262

ΔHf, kcal/mol:

-3.92

Dipole, Da:

3.37

IP(EA), eV:

 -8.26(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-carboxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC2=NC(=CC(=N2)N3CCN(CC3)C4=CC=CC=C4)NC5=CC(=C(C=C5)OC)F

DOS

IR

Vibrations