Geometry & MOs

Info

ID:

191881

PubChem CID:

78197752

Reduced:

SN6O11C25H42 (1)

Stoich.:

AB6C11D25E42 (1)

Weight, g/mol:

710.225128

ΔHf, kcal/mol:

-536.55

Dipole, Da:

10.6

IP(EA), eV:

 -9.02(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[2-[[2-[[2-[(2-amino-3-carboxypropanoyl)amino]-4-carboxybutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-carboxybutanoyl]amino]-5-oxo-5-(2-sulfanylethylamino)pentanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations