Geometry & MOs

Info

ID:

191878

PubChem CID:

78197749

Reduced:

S2N6O11C25H42 (1)

Stoich.:

A2B6C11D25E42 (1)

Weight, g/mol:

620.247577

ΔHf, kcal/mol:

-538.65

Dipole, Da:

9.08

IP(EA), eV:

 -9.05(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-5-[[3-carboxy-1-[[1-[[1-[[2-[(1-carboxy-2-sulfanylethyl)amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations