Geometry & MOs

Info

ID:

191237

PubChem CID:

78122009

Reduced:

Cl2O3N5C28H29 (1)

Stoich.:

A2B3C5D28E29 (1)

Weight, g/mol:

874.477334

ΔHf, kcal/mol:

-65.25

Dipole, Da:

9.58

IP(EA), eV:

 -9.15(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[2-[[2-[2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]propanoylamino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)N2C(C3=C(N(N=C3C2=O)C4CC(=O)N(C(=O)N4C)C)C(C)C)C5=C(C=C(C=C5)Cl)C

DOS

IR

Vibrations