Geometry & MOs

Info

ID:

306590

PubChem CID:

125089688

Reduced:

ClSN3O5C31H38 (1)

Stoich.:

ABC3D5E31F38 (1)

Weight, g/mol:

645.242806

ΔHf, kcal/mol:

-175.58

Dipole, Da:

4.76

IP(EA), eV:

 -8.45(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[[2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)acetyl]-[(2-methylphenyl)methyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N(CC(=O)N(CC2=CC(=CC=C2)Cl)[C@H](CC3=CC=CC=C3)C(=O)NCC(C)C)S(=O)(=O)C

DOS

IR

Vibrations