Geometry & MOs

Info

ID:

181623

PubChem CID:

76766990

Reduced:

S2N12O13C56H96 (1)

Stoich.:

A2B12C13D56E96 (1)

Weight, g/mol:

506.309092

ΔHf, kcal/mol:

-642.9

Dipole, Da:

6.6

IP(EA), eV:

 -8.18(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

[1-[[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-methylamino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-(5-amino-2-methyl-5-oxopentanoyl)-dimethylazanium

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCCC(=O)NC(CCS(=O)(=O)O)C(=O)NC(CCS(=O)(=O)O)C(=O)NCCCCC(C)C(=O)N1CCN(CC1)C2=CC3=C(C=C2)N=CN(C3=O)CC(=O)NC(CCCN=C(N)N)C(=O)NC

DOS

IR

Vibrations