Geometry & MOs

Info

ID:

225307

PubChem CID:

85756459

Reduced:

ON4H36C51 (1)

Stoich.:

AB4C36D51 (1)

Weight, g/mol:

506.285283

ΔHf, kcal/mol:

315.55

Dipole, Da:

8.51

IP(EA), eV:

 -7.85(-1.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-N-[1-[[1-[[1-[(1-amino-3-hydroxy-1-oxopropan-2-yl)amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C2C=C3C(=C4C=CC(=C(C5=CC=C(N5)C(=C6C=CC(=N6)C(=C2N3)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9)N4)C2=CC=CC=C2)C(=O)C=C1

DOS

IR

Vibrations