Geometry & MOs

Info

ID:

1710

PubChem CID:

4918

Reduced:

N8O8C29H46 (1)

Stoich.:

A8B8C29D46 (1)

Weight, g/mol:

634.34386

ΔHf, kcal/mol:

-355.4

Dipole, Da:

7.09

IP(EA), eV:

 -9.23(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[1-[2-[[2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoic acid

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1CCCC1C(=O)NC(C(C)O)C(=O)O)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CCCN=C(N)N)N

DOS

IR

Vibrations