Geometry & MOs

Info

ID:

169122

PubChem CID:

75067515

Reduced:

N2O15H38C46 (1)

Stoich.:

A2B15C38D46 (1)

Weight, g/mol:

1030.471974

ΔHf, kcal/mol:

-456.65

Dipole, Da:

6.82

IP(EA), eV:

 -8.95(-2.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[2-[2-[[2-[[4-amino-2-[[2-[[6-amino-2-[(2,5-diamino-5-oxopentanoyl)amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]propanoylamino]propanoylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoic acid

Drug info:

PubChemData

Smile

CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)COC(=O)C6=C(C(=C(C=C6)C7=CC=C(C=C7)O)C#N)C(=O)O)O)N8C=CC=C8)O

DOS

IR

Vibrations