Geometry & MOs

Info

ID:

306522

PubChem CID:

125085301

Reduced:

FSCl2N3O4C36H36 (1)

Stoich.:

ABC2D3E4F36G36 (1)

Weight, g/mol:

657.287257

ΔHf, kcal/mol:

-151.27

Dipole, Da:

5.84

IP(EA), eV:

 -9.2(-1.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[[2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetyl]-[(3-methylphenyl)methyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)[C@@H](CC2=CC=CC=C2)N(CC3=CC=C(C=C3)F)C(=O)CN(C4=CC(=CC=C4)Cl)S(=O)(=O)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations