Geometry & MOs

Info

ID:

306591

PubChem CID:

125089689

Reduced:

ClSN3O4C36H40 (1)

Stoich.:

ABC3D4E36F40 (1)

Weight, g/mol:

679.203833

ΔHf, kcal/mol:

-98.24

Dipole, Da:

3.94

IP(EA), eV:

 -8.96(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[[2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]-[(2-chlorophenyl)methyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN([C@H](CC2=CC=CC=C2)C(=O)NCC(C)C)C(=O)CN(C3=CC=CC=C3C)S(=O)(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations