Geometry & MOs

Info

ID:

306539

PubChem CID:

125086066

Reduced:

FSCl2N3O6C36H38 (1)

Stoich.:

ABC2D3E6F36G38 (1)

Weight, g/mol:

527.141233

ΔHf, kcal/mol:

-220.52

Dipole, Da:

9.58

IP(EA), eV:

 -8.84(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[[2-(3-chloro-4-methyl-N-methylsulfonylanilino)acetyl]-[(3-chlorophenyl)methyl]amino]-N-(2-methylpropyl)propanamide

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)[C@@H](CC1=CC=CC=C1)N(CC2=C(C=C(C=C2)Cl)Cl)C(=O)CN(C3=CC=C(C=C3)F)S(=O)(=O)C4=CC(=C(C=C4)OC)OC

DOS

IR

Vibrations