Geometry & MOs

Info

ID:

306497

PubChem CID:

125083883

Reduced:

FSN3O4C37H40 (1)

Stoich.:

ABC3D4E37F40 (1)

Weight, g/mol:

741.186469

ΔHf, kcal/mol:

-138.67

Dipole, Da:

4.28

IP(EA), eV:

 -8.69(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-N-tert-butyl-2-[(2,4-dichlorophenyl)methyl-[2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)acetyl]amino]-3-phenylpropanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)N(CC(=O)N(CC2=CC=CC=C2F)[C@H](CC3=CC=CC=C3)C(=O)NC4CCCC4)S(=O)(=O)C5=CC=CC=C5)C

DOS

IR

Vibrations