Geometry & MOs

Info

ID:

167482

PubChem CID:

74834832

Reduced:

N11O14C44H75 (1)

Stoich.:

A11B14C44D75 (1)

Weight, g/mol:

962.507297

ΔHf, kcal/mol:

-722.97

Dipole, Da:

3.37

IP(EA), eV:

 -9.82(-0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[6-amino-2-[[2-[2-[[2-[[1-[2-(2-aminopropanoylamino)-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]-3-methylbutanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]pentanedioic acid

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1CCCC1C(=O)NC(CC2CCCCC2)C(=O)NC(C)C(=O)NC(CCC(=O)N)C(=O)NC(CCCCN)C(=O)NC(CO)C(=O)NC(CCC(=O)O)C(=O)O)NC(=O)C(C)N

DOS

IR

Vibrations