Geometry & MOs

Info

ID:

215533

PubChem CID:

85084874

Reduced:

S2N8O13C47H58 (1)

Stoich.:

A2B8C13D47E58 (1)

Weight, g/mol:

1007.511689

ΔHf, kcal/mol:

-521.76

Dipole, Da:

7.81

IP(EA), eV:

 -8.55(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-4-methylsulfanylbutanoyl)amino]-3-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxypropanoyl]amino]-3-sulfanylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxypropanoic acid

Drug info:

PubChemData

Smile

CC(=O)NC(CC1=CC=C(C=C1)OS(=O)(=O)O)C(=O)NC2CCCC2CC(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NC(CCSC)C(=O)NC(CC(=O)O)C(=O)NC(CC5=CC=CC=C5)C(=O)N

DOS

IR

Vibrations