Geometry & MOs

Info

ID:

306595

PubChem CID:

125089757

Reduced:

BrClSN3O5C36H39 (1)

Stoich.:

ABCD3E5F36G39 (1)

Weight, g/mol:

721.214398

ΔHf, kcal/mol:

-146.36

Dipole, Da:

7.85

IP(EA), eV:

 -8.8(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[(3-chlorophenyl)methyl-[2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)acetyl]amino]-N-cyclohexyl-3-phenylpropanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N(CC(=O)N(CC2=CC(=CC=C2)Cl)[C@H](CC3=CC=CC=C3)C(=O)NCC(C)C)S(=O)(=O)C4=CC(=C(C=C4)OC)Br

DOS

IR

Vibrations