Geometry & MOs

Info

ID:

54153

PubChem CID:

14720410

Reduced:

SN5O7C30H43 (1)

Stoich.:

AB5C7D30E43 (1)

Weight, g/mol:

601.293405

ΔHf, kcal/mol:

-274.69

Dipole, Da:

5.06

IP(EA), eV:

 -8.84(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-acetamido-N-[1-[(6-amino-1-oxohexan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]-6-[(4-methylphenyl)sulfonylamino]hexanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NCCCC[C@H](C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCCCN)C=O)NC(=O)OC

DOS

IR

Vibrations