Geometry & MOs

Info

ID:

306558

PubChem CID:

125086994

Reduced:

SCl2N3O5C37H39 (1)

Stoich.:

AB2C3D5E37F39 (1)

Weight, g/mol:

605.255957

ΔHf, kcal/mol:

-144.7

Dipole, Da:

2.82

IP(EA), eV:

 -8.99(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]acetyl]-[(2-methylphenyl)methyl]amino]-N-cyclohexyl-3-phenylpropanamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N(CC(=O)N(CC2=C(C=C(C=C2)Cl)Cl)[C@H](CC3=CC=CC=C3)C(=O)NC4CCCCC4)S(=O)(=O)C5=CC=CC=C5

DOS

IR

Vibrations