Geometry & MOs

Info

ID:

2072

PubChem CID:

5728

Reduced:

SN3O6C28H45 (1)

Stoich.:

AB3C6D28E45 (1)

Weight, g/mol:

551.302907

ΔHf, kcal/mol:

-281.57

Dipole, Da:

8.24

IP(EA), eV:

 -9.34(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl N-[4-methyl-1-[[4-methyl-1-[(5-methyl-1-methylsulfonylhex-1-en-3-yl)amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)CC(C=CS(=O)(=O)C)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCC1=CC=CC=C1

DOS

IR

Vibrations