Geometry & MOs

Info

ID:

176028

PubChem CID:

75984322

Reduced:

O4N5C28H42 (2)

Stoich.:

A4B5C28D42 (2)

Weight, g/mol:

1062.547617

ΔHf, kcal/mol:

-413.92

Dipole, Da:

8.65

IP(EA), eV:

 -9.32(-0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[3,3-dimethyl-2-[2-(methylamino)propanoylamino]butanoyl]-4-[3-[1-[3,3-dimethyl-2-[2-(methylamino)propanoylamino]butanoyl]-5-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)pyrrolidin-3-yl]oxyphenoxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-2-carboxamide;dihydrochloride

Drug info:

PubChemData

Smile

CC(C(=O)NC(C(=O)N1CC(CC1C(=O)NC2CCCC3=CC=CC=C23)NC(=O)CCCCC(=O)NC4CC(N(C4)C(=O)C(C(C)(C)C)NC(=O)C(C)NC)C(=O)NC5CCCC6=CC=CC=C56)C(C)(C)C)NC

DOS

IR

Vibrations