Geometry & MOs

Info

ID:

191017

PubChem CID:

78094124

Reduced:

ClN5C14H20 (1)

Stoich.:

AB5C14D20 (1)

Weight, g/mol:

909.409314

ΔHf, kcal/mol:

35.66

Dipole, Da:

8.89

IP(EA), eV:

 -8.28(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[5-amino-2-[[1-[2-[[4-amino-2-[[2-[[2-(2,5-dioxoimidazolidin-4-yl)acetyl]amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]pentanediamide

Drug info:

PubChemData

Smile

C1CCCN(CC1)C(=NC(=NC2=CC(=CC=C2)Cl)N)N

DOS

IR

Vibrations