Geometry & MOs

Info

ID:

224143

PubChem CID:

85338674

Reduced:

S2N5O10C32H43 (1)

Stoich.:

A2B5C10D32E43 (1)

Weight, g/mol:

738.442846

ΔHf, kcal/mol:

-419.82

Dipole, Da:

4.89

IP(EA), eV:

 -8.85(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,6-diamino-N-[1-[[1-[[1-[[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]hexanamide

Drug info:

PubChemData

Smile

CSCCC(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)O)NC(=O)C(CCSC)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CC(=O)O)N

DOS

IR

Vibrations