Geometry & MOs

Info

ID:

176029

PubChem CID:

75984323

Reduced:

ClN4O4C28H40 (2)

Stoich.:

AB4C4D28E40 (2)

Weight, g/mol:

990.594262

ΔHf, kcal/mol:

-434.22

Dipole, Da:

4.46

IP(EA), eV:

 -9.21(-0.12)

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

Drug info:

PubChemData

Smile

CC(C(=O)NC(C(=O)N1CC(CC1C(=O)NC2CCCC3=CC=CC=C23)OC4=CC(=CC=C4)OC5CC(N(C5)C(=O)C(C(C)(C)C)NC(=O)C(C)NC)C(=O)NC6CCCC7=CC=CC=C67)C(C)(C)C)NC.Cl.Cl

DOS

IR

Vibrations