Geometry & MOs

Info

ID:

219335

PubChem CID:

85098800

Reduced:

ClSN6O9C38H57 (1)

Stoich.:

ABC6D9E38F57 (1)

Weight, g/mol:

811.302667

ΔHf, kcal/mol:

-409.85

Dipole, Da:

5.84

IP(EA), eV:

 -8.97(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[2-[[4-amino-2-[[2-[[2-[(2-amino-3-methylpentanoyl)amino]acetyl]amino]-3-sulfanylpropanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxybutanoyl]amino]-3-sulfanylpropanoyl]amino]-3-methylbutanoyl]amino]-3-sulfanylpropanoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NCCCCC(C(=O)NC(CC(C)C)C(=O)NN(CC2=CC=C(C=C2)O)C(=O)CCl)NC(=O)C(C(C)C)NC(=O)OC(C)(C)C

DOS

IR

Vibrations