Geometry & MOs

Info

ID:

221794

PubChem CID:

85286150

Reduced:

Br2N5O5C24H25 (1)

Stoich.:

A2B5C5D24E25 (1)

Weight, g/mol:

622.2366

ΔHf, kcal/mol:

-139.77

Dipole, Da:

4.28

IP(EA), eV:

 -8.95(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[[3-(2-bromo-1H-indol-3-yl)-2-[[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]propanoyl]amino]hexanoate

Drug info:

PubChemData

Smile

CCOC(=O)CNC(=O)C1CCCN1C(=O)C(=CNC2=C(C=C(C=N2)Br)Br)NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations