Geometry & MOs

Info

ID:

306517

PubChem CID:

125084890

Reduced:

ClSN3O4C33H40 (1)

Stoich.:

ABC3D4E33F40 (1)

Weight, g/mol:

649.217734

ΔHf, kcal/mol:

-148.69

Dipole, Da:

2.99

IP(EA), eV:

 -9.39(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN([C@H](CC2=CC=CC=C2)C(=O)NC3CCCCC3)C(=O)CN(C4=C(C(=CC=C4)Cl)C)S(=O)(=O)C

DOS

IR

Vibrations