Geometry & MOs

Info

ID:

306588

PubChem CID:

125089292

Reduced:

ClFSN3O5C30H35 (1)

Stoich.:

ABCD3E5F30G35 (1)

Weight, g/mol:

691.254992

ΔHf, kcal/mol:

-219.99

Dipole, Da:

7.32

IP(EA), eV:

 -8.75(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[[2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)acetyl]-[(2-fluorophenyl)methyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations