Geometry & MOs

Info

ID:

215305

PubChem CID:

85084519

Reduced:

SO7N8C41H56 (1)

Stoich.:

AB7C8D41E56 (1)

Weight, g/mol:

804.43163

ΔHf, kcal/mol:

-280.42

Dipole, Da:

6.44

IP(EA), eV:

 -8.79(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[2-[[6-amino-2-(2,6-diaminohexanoylamino)hexanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]-4-methylsulfanylbutanoic acid

Drug info:

PubChemData

Smile

CCNC(=O)C1CCCN1C(=O)C(CCCN=C(N)NS(=O)(=O)C2=CC=C(C=C2)C)NC(=O)C(CC(C)C)NC(=O)C(CC3=CC4=CC=CC=C4C=C3)NC(=O)C

DOS

IR

Vibrations