Geometry & MOs

Info

ID:

306509

PubChem CID:

125084174

Reduced:

ClSN3O4C32H40 (1)

Stoich.:

ABC3D4E32F40 (1)

Weight, g/mol:

603.172533

ΔHf, kcal/mol:

-148.12

Dipole, Da:

5.91

IP(EA), eV:

 -9.02(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)N(CCCC(=O)N(CC2=CC=CC=C2)[C@H](CC3=CC=CC=C3)C(=O)NCC(C)C)S(=O)(=O)C

DOS

IR

Vibrations