Geometry & MOs

Info

ID:

176027

PubChem CID:

75984141

Reduced:

ClO6N8C54H67 (1)

Stoich.:

AB6C8D54E67 (1)

Weight, g/mol:

1024.64736

ΔHf, kcal/mol:

-233.0

Dipole, Da:

8.3

IP(EA), eV:

 -8.47(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N,N'-bis[1-[3,3-dimethyl-2-[2-(methylamino)propanoylamino]butanoyl]-5-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)pyrrolidin-3-yl]hexanediamide

Drug info:

PubChemData

Smile

CC(C(=O)NC(CCCCCCC(C(=O)N1CCCC1C(=O)NC2C3=CC=CC=C3C4=CC=CC=C24)NC(=O)C(C)NC)C(=O)N5CCCC5C(=O)NC6C7=CC=CC=C7C8=CC=CC=C68)NC.Cl

DOS

IR

Vibrations