Geometry & MOs

Info

ID:

215226

PubChem CID:

85084395

Reduced:

SN8O8C37H48 (1)

Stoich.:

AB8C8D37E48 (1)

Weight, g/mol:

764.504778

ΔHf, kcal/mol:

-293.94

Dipole, Da:

3.39

IP(EA), eV:

 -8.31(0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[2-methyl-2-[[2-methyl-2-[[2-methyl-2-[[2-methyl-2-[[1-(2-methyl-3-oxotetradecanoyl)pyrrolidine-2-carbonyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC(C)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NC(CCS(=O)C)C(=O)O)NC(=O)CN

DOS

IR

Vibrations