Geometry & MOs

Info

ID:

190824

PubChem CID:

78064573

Reduced:

O2N3C16H19 (1)

Stoich.:

A2B3C16D19 (1)

Weight, g/mol:

898.509697

ΔHf, kcal/mol:

0.33

Dipole, Da:

8.35

IP(EA), eV:

 -9.03(-1.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[5-amino-2-[[2-[[1-[2-[[6-amino-2-[(2,5-diamino-5-oxopentanoyl)amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid

Drug info:

PubChemData

Smile

COC1C=CC=C2C1=NC(=O)C=C2NN=C3CCCCC3

DOS

IR

Vibrations