Geometry & MOs

Info

ID:

306523

PubChem CID:

125085393

Reduced:

SN3O6C37H43 (1)

Stoich.:

AB3C6D37E43 (1)

Weight, g/mol:

695.198748

ΔHf, kcal/mol:

-163.27

Dipole, Da:

5.09

IP(EA), eV:

 -8.83(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[(2,4-dichlorophenyl)methyl-[2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN([C@H](CC2=CC=CC=C2)C(=O)NCC(C)C)C(=O)CN(C3=CC=CC=C3)S(=O)(=O)C4=CC(=C(C=C4)OC)OC

DOS

IR

Vibrations