Geometry & MOs

Info

ID:

173024

PubChem CID:

75585943

Reduced:

ClON5C22H26 (1)

Stoich.:

ABC5D22E26 (1)

Weight, g/mol:

998.550893

ΔHf, kcal/mol:

20.31

Dipole, Da:

5.65

IP(EA), eV:

 -8.57(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[6-amino-2-[[5-amino-2-[2-[[2-[[1-[2-(2-aminopropanoylamino)-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]propanoylamino]-5-oxopentanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]pentanedioic acid

Drug info:

PubChemData

Smile

C1CN(CCC1C2CC2CCNC3=CC4=C(C=C3)C(=O)NC4)C5=NC=C(C=N5)Cl

DOS

IR

Vibrations