Geometry & MOs

Info

ID:

168403

PubChem CID:

74962696

Reduced:

O2N4C25H32 (1)

Stoich.:

A2B4C25D32 (1)

Weight, g/mol:

1152.679448

ΔHf, kcal/mol:

-24.42

Dipole, Da:

6.54

IP(EA), eV:

 -8.43(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[2-[[3-[1-[4-[[2-[[2-(dimethylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-[[1-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylamino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CCCN1CC(NC(=O)C2=NN(C=C21)CC3=CC4=CC=CC=C4C=C3)COC(C)(C)C

DOS

IR

Vibrations