Geometry & MOs

Info

ID:

224153

PubChem CID:

85338844

Reduced:

SN6O11C37H48 (1)

Stoich.:

AB6C11D37E48 (1)

Weight, g/mol:

787.179795

ΔHf, kcal/mol:

-448.39

Dipole, Da:

9.7

IP(EA), eV:

 -9.49(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 -5

Chem-info

IUPAC name:

2-[[2-[[2-[[2-amino-4-[[2-amino-3-(4-oxidophenyl)propanoyl]amino]butanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-sulfidopropanimidate;oxygen(2-);rhenium

Drug info:

PubChemData

Smile

CCCC(C(=O)C(=O)NCC(=O)NC(C1=CC=CC=C1)C(=O)N)NC(=O)C(CS(=O)(=O)CC)NC(=O)C(C2CCCCC2)NC(=O)C3=CC=CC=C3C(=O)O

DOS

IR

Vibrations