Geometry & MOs

Info

ID:

223284

PubChem CID:

85334796

Reduced:

S3O13N14C71H102 (1)

Stoich.:

A3B13C14D71E102 (1)

Weight, g/mol:

1455.990492

ΔHf, kcal/mol:

-555.65

Dipole, Da:

3.71

IP(EA), eV:

 -8.54(-0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[6-amino-2-[[6-amino-2-[[2-[2-[[6-amino-2-[2-[[2-[[2-[[6-amino-2-[2-[(2-amino-3-phenylpropanoyl)amino]propanoylamino]hexanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]propanoylamino]hexanoyl]amino]propanoylamino]-4-methylpentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC3=CN=CN3)C(=O)NC(CCSC)C(=O)NC(CC4=CC=CC=C4)C(=O)NC(CCSC)C(=O)NC(CO)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC5=CC=CC=C5)C(=O)O)NC(=O)C(CCSC)N

DOS

IR

Vibrations