Geometry & MOs

Info

ID:

190839

PubChem CID:

78066941

Reduced:

SO8N10C28H50 (1)

Stoich.:

AB8C10D28E50 (1)

Weight, g/mol:

747.286623

ΔHf, kcal/mol:

-358.13

Dipole, Da:

2.87

IP(EA), eV:

 -8.81(-0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-2-[[2-[[2-[[2-[[2-[(2-amino-4-methylsulfanylbutanoyl)amino]-3-sulfanylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CSCCC(C(=O)NC(CCCCN)C(=O)NC(CC1=CN=CN1)C(=O)NC(CCCCN)C(=O)NCC(=O)NC(CO)C(=O)O)N

DOS

IR

Vibrations