Geometry & MOs

Info

ID:

191879

PubChem CID:

78197750

Reduced:

SN6O11C24H40 (1)

Stoich.:

AB6C11D24E40 (1)

Weight, g/mol:

748.258536

ΔHf, kcal/mol:

-489.85

Dipole, Da:

5.81

IP(EA), eV:

 -9.72(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[2-[[2-[(2-amino-3-carboxypropanoyl)amino]-4-carboxybutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-[[4-carboxy-1-[carboxymethyl(prop-2-enyl)amino]-1-oxobutan-2-yl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC(C(C)C)C(=O)NCC(=O)NC(CS)C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CCC(=O)O)N

DOS

IR

Vibrations