Geometry & MOs

Info

ID:

164252

PubChem CID:

74382584

Reduced:

O5N6C28H41 (2)

Stoich.:

A5B6C28D41 (2)

Weight, g/mol:

1158.658987

ΔHf, kcal/mol:

-467.42

Dipole, Da:

6.46

IP(EA), eV:

 -9.24(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-N,3-N-bis[2-[[1-[3,3-dimethyl-2-[2-(methylamino)propanoylamino]butanoyl]-5-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)pyrrolidin-3-yl]amino]-2-oxoethyl]benzene-1,3-dicarboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC(C(=O)N1CC(CC1C(=O)NC2CCCC3=CC=CC=C23)NC(=O)CNC(=O)C(=O)NCC(=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