Geometry & MOs

Info

ID:

215261

PubChem CID:

85084446

Reduced:

SN8O13C32H46 (1)

Stoich.:

AB8C13D32E46 (1)

Weight, g/mol:

783.315615

ΔHf, kcal/mol:

-498.99

Dipole, Da:

10.68

IP(EA), eV:

 -8.62(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[2-[[2-[[2-(2-acetylhydrazinyl)-3-sulfanylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-4-[[1-[(1-amino-3-methyl-1-oxo-3-sulfanylbutan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)N)C(=O)NC2=CN(C(=C2)C(=O)NC3=CN(C(=C3)C(=O)NCCCN(C)C)C4C(C(C(C(O4)CO)O)O)O)C5C(C(C(C(O5)CO)O)O)O

DOS

IR

Vibrations